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Title: Crystal and Electronic Structure and Optical Properties of AE2SiP4 (AE = Sr, Eu, Ba) and Ba4S3P8

Abstract

Here, three new compounds in the AE–Si–P (AE = Sr, Eu, Ba) systems are reported. Sr2SiP4 and Eu2SiP4, the first members of their respective ternary systems, are isostructural to previously reported Ba2SiP4 and crystallize in the noncentrosymmetric I42d (no. 122) space group. Ba4Si3P8 crystallizes in the new structure type, in P21/c (no. 14) space group, mP–120 Pearson symbol, Wyckoff sequence e30. In the crystal structures of Sr2SiP4 and Eu2SiP4 all SiP4 tetrahedral building blocks are connected via formation of P–P bonds forming a three–dimensional framework. In the crystal structure of Ba4Si3P8, Si–P tetrahedral chains formed by corner–sharing, edge–sharing, and P–P bonds are surrounded by Ba cations. This results in a quasi–one–dimensional structure. Electronic structure calculations and UV/Vis measurements suggest that the AE2SiP4 (AE = Sr, Eu, Ba) are direct bandgap semiconductors with bandgaps of ca. 1.4 eV and have potential for thermoelectric applications.

Authors:
 [1];  [2];  [2];  [1]
  1. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  2. Univ. of California, Davis, CA (United States)
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1483410
Alternate Identifier(s):
OSTI ID: 1482747
Report Number(s):
IS-J-9791
Journal ID: ISSN 0044-2313
Grant/Contract Number:  
AC02-07CH11358; 1531193
Resource Type:
Accepted Manuscript
Journal Name:
Zeitschrift fuer Anorganische und Allgemeine Chemie
Additional Journal Information:
Journal Volume: 645; Journal Issue: 3; Journal ID: ISSN 0044-2313
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Ternary system; Semiconductors; Barium; Silicon

Citation Formats

Mark, Justin, Dolyniuk, Juli -Anna, Tran, Nhon, and Kovnir, Kirill. Crystal and Electronic Structure and Optical Properties of AE2SiP4 (AE = Sr, Eu, Ba) and Ba4S3P8. United States: N. p., 2018. Web. doi:10.1002/zaac.201800430.
Mark, Justin, Dolyniuk, Juli -Anna, Tran, Nhon, & Kovnir, Kirill. Crystal and Electronic Structure and Optical Properties of AE2SiP4 (AE = Sr, Eu, Ba) and Ba4S3P8. United States. doi:10.1002/zaac.201800430.
Mark, Justin, Dolyniuk, Juli -Anna, Tran, Nhon, and Kovnir, Kirill. Mon . "Crystal and Electronic Structure and Optical Properties of AE2SiP4 (AE = Sr, Eu, Ba) and Ba4S3P8". United States. doi:10.1002/zaac.201800430. https://www.osti.gov/servlets/purl/1483410.
@article{osti_1483410,
title = {Crystal and Electronic Structure and Optical Properties of AE2SiP4 (AE = Sr, Eu, Ba) and Ba4S3P8},
author = {Mark, Justin and Dolyniuk, Juli -Anna and Tran, Nhon and Kovnir, Kirill},
abstractNote = {Here, three new compounds in the AE–Si–P (AE = Sr, Eu, Ba) systems are reported. Sr2SiP4 and Eu2SiP4, the first members of their respective ternary systems, are isostructural to previously reported Ba2SiP4 and crystallize in the noncentrosymmetric I42d (no. 122) space group. Ba4Si3P8 crystallizes in the new structure type, in P21/c (no. 14) space group, mP–120 Pearson symbol, Wyckoff sequence e30. In the crystal structures of Sr2SiP4 and Eu2SiP4 all SiP4 tetrahedral building blocks are connected via formation of P–P bonds forming a three–dimensional framework. In the crystal structure of Ba4Si3P8, Si–P tetrahedral chains formed by corner–sharing, edge–sharing, and P–P bonds are surrounded by Ba cations. This results in a quasi–one–dimensional structure. Electronic structure calculations and UV/Vis measurements suggest that the AE2SiP4 (AE = Sr, Eu, Ba) are direct bandgap semiconductors with bandgaps of ca. 1.4 eV and have potential for thermoelectric applications.},
doi = {10.1002/zaac.201800430},
journal = {Zeitschrift fuer Anorganische und Allgemeine Chemie},
number = 3,
volume = 645,
place = {United States},
year = {2018},
month = {11}
}

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float:none;">[ × clear filter / sort ]</a> </div> </form> </div> </div> </div> </section> <section id="biblio-citations" class="tab-content tab-content-sec osti-curated" data-tab="biblio"> <div class="row"> <div class="col-sm-9 order-sm-9"> <div class="padding"> <p class="lead text-muted" style="font-size: 18px; margin-top:0px;">Works referencing / citing this record:</p> <div class="list"> <div> <h2 class="title" style="margin-bottom:0;" data-apporder=""> <a href="https://doi.org/10.25505/fiz.icsd.cc20sk0d" target="_blank" rel="noopener noreferrer" class="name">CSD 1870633: Experimental Crystal Structure Determination<span class="fa fa-external-link" aria-hidden="true"></span></a> <small class="text-muted" style="text-transform:uppercase; font-size:0.75rem;"><br/> <span class="type">dataset</span>, <span class="date" data-date="2019-01-01">January 2019</span></small> </h2> <ul class="small references-list" style="list-style-type:none; margin-top: 0.5em; padding-left: 0; line-height:1.8em;"> <li> <span style="color:#5C7B2D;"> Mark, Justin; Dolyniuk, Juli‐Anna; Tran, Nhon</span> </li> <li> FIZ Karlsruhe – Leibniz Institute for Information Infrastructure</li> <li> <span class="text-muted related-url">DOI: <a href="https://doi.org/10.25505/fiz.icsd.cc20sk0d" class="text-muted" target="_blank" rel="noopener noreferrer">10.25505/fiz.icsd.cc20sk0d<span class="fa fa-external-link" aria-hidden="true"></span></a></span> </li> </ul> <hr/> </div> <div> <h2 class="title" style="margin-bottom:0;" data-apporder=""> <a href="https://doi.org/10.25505/fiz.icsd.cc20sk1f" target="_blank" rel="noopener noreferrer" class="name">CSD 1870634: Experimental Crystal Structure Determination<span class="fa fa-external-link" aria-hidden="true"></span></a> <small class="text-muted" style="text-transform:uppercase; font-size:0.75rem;"><br/> <span class="type">dataset</span>, <span class="date" data-date="2019-01-01">January 2019</span></small> </h2> <ul class="small references-list" style="list-style-type:none; margin-top: 0.5em; padding-left: 0; line-height:1.8em;"> <li> <span style="color:#5C7B2D;"> Mark, Justin; 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Wittmann, Manfred</span> </li> <li> Zeitschrift für Naturforschung B, Vol. 35, Issue 7</li> <li> <span class="text-muted related-url">DOI: <a href="https://doi.org/10.1515/znb-1980-0707" class="text-muted" target="_blank" rel="noopener noreferrer">10.1515/znb-1980-0707<span class="fa fa-external-link" aria-hidden="true"></span></a></span> </li> </ul> <hr/> </div> <div> <h2 class="title" style="margin-bottom:0;" data-apporder=""> <a href="https://doi.org/10.1515/znb-1984-0607" target="_blank" rel="noopener noreferrer" class="name">K2SiP2, ein Phosphidopolysilikat(IV) / K2SiP2, a Phosphidopolysilicate (IV)<span class="fa fa-external-link" aria-hidden="true"></span></a> <small class="text-muted" style="text-transform:uppercase; font-size:0.75rem;"><br/> <span class="type">journal</span>, <span class="date" data-date="1984-06-01">June 1984</span></small> </h2> <ul class="small references-list" style="list-style-type:none; margin-top: 0.5em; padding-left: 0; line-height:1.8em;"> <li> <span style="color:#5C7B2D;"> Eisenmann, Brigitte; Somer, Mehmet</span> </li> <li> Zeitschrift für Naturforschung B, Vol. 39, Issue 6</li> <li> <span class="text-muted related-url">DOI: <a href="https://doi.org/10.1515/znb-1984-0607" class="text-muted" target="_blank" rel="noopener noreferrer">10.1515/znb-1984-0607<span class="fa fa-external-link" aria-hidden="true"></span></a></span> </li> </ul> <hr/> </div> <div> <h2 class="title" style="margin-bottom:0;" data-apporder=""> <a href="https://doi.org/10.1515/znb-1984-0705" target="_blank" rel="noopener noreferrer" class="name">Ba3Si4P6, eine neue Zintlphase mit vernetzten Si4P5-Käfigen / On Ba3Si4P6, a New Zintl Phase with Connected Si4P5 Cages<span class="fa fa-external-link" aria-hidden="true"></span></a> <small class="text-muted" style="text-transform:uppercase; font-size:0.75rem;"><br/> <span class="type">journal</span>, <span class="date" data-date="1984-07-01">July 1984</span></small> </h2> <ul class="small references-list" style="list-style-type:none; margin-top: 0.5em; padding-left: 0; line-height:1.8em;"> <li> <span style="color:#5C7B2D;"> Eisenmann, Brigitte; Jordan, Hanna; Schäfer, Herbert</span> </li> <li> Zeitschrift für Naturforschung B, Vol. 39, Issue 7</li> <li> <span class="text-muted related-url">DOI: <a href="https://doi.org/10.1515/znb-1984-0705" class="text-muted" target="_blank" rel="noopener noreferrer">10.1515/znb-1984-0705<span class="fa fa-external-link" aria-hidden="true"></span></a></span> </li> </ul> <hr/> </div> <div> <h2 class="title" style="margin-bottom:0;" data-apporder=""> <a href="https://doi.org/10.1515/znb-2015-0203" target="_blank" rel="noopener noreferrer" class="name">NaGe6As6: Insertion of sodium into the layered semiconductor germanium arsenide GeAs<span class="fa fa-external-link" aria-hidden="true"></span></a> <small class="text-muted" style="text-transform:uppercase; font-size:0.75rem;"><br/> <span class="type">journal</span>, <span class="date" data-date="2016-05-01">May 2016</span></small> </h2> <ul class="small references-list" style="list-style-type:none; margin-top: 0.5em; padding-left: 0; line-height:1.8em;"> <li> <span style="color:#5C7B2D;"> Khatun, Mansura; Mar, Arthur</span> </li> <li> Zeitschrift für Naturforschung B, Vol. 71, Issue 5</li> <li> <span class="text-muted related-url">DOI: <a href="https://doi.org/10.1515/znb-2015-0203" class="text-muted" target="_blank" rel="noopener noreferrer">10.1515/znb-2015-0203<span class="fa fa-external-link" aria-hidden="true"></span></a></span> </li> </ul> <hr/> </div> <div> <h2 class="title" style="margin-bottom:0;" data-apporder=""> <a href="https://doi.org/10.1515/znc-1985-11-1223" target="_blank" rel="noopener noreferrer" class="name">A Patch Clamp Study of Tonoplast Electrical Properties in Vacuoles Isolated from Chenopodium rubrum Suspension Cells<span class="fa fa-external-link" aria-hidden="true"></span></a> <small class="text-muted" style="text-transform:uppercase; font-size:0.75rem;"><br/> <span class="type">journal</span>, <span class="date" data-date="1985-10-01">October 1985</span></small> </h2> <ul class="small references-list" style="list-style-type:none; margin-top: 0.5em; padding-left: 0; line-height:1.8em;"> <li> <span style="color:#5C7B2D;"> Bentrup, Friedrich-Wilhelm; Hoffmann, Bernd; Gogarten-Boekels, Maria</span> </li> <li> Zeitschrift für Naturforschung C, Vol. 40, Issue 11-12</li> <li> <span class="text-muted related-url">DOI: <a href="https://doi.org/10.1515/znc-1985-11-1223" class="text-muted" target="_blank" rel="noopener noreferrer">10.1515/znc-1985-11-1223<span class="fa fa-external-link" aria-hidden="true"></span></a></span> </li> </ul> <hr/> </div> <div> <h2 class="title" style="margin-bottom:0;" data-apporder=""> <a href="https://doi.org/10.1524/zkri.1984.167.1-2.1" target="_blank" rel="noopener noreferrer" class="name">Pyrite-type silicon diphosphide <em>p</em> -SiP <sub>2</sub> : Structural parameters and valence electron density distribution : Chemistry and structural chemistry of phosphides and polyphosphides, 31 [20]<span class="fa fa-external-link" aria-hidden="true"></span></a> <small class="text-muted" style="text-transform:uppercase; font-size:0.75rem;"><br/> <span class="type">journal</span>, <span class="date" data-date="1984-01-01">January 1984</span></small> </h2> <ul class="small references-list" style="list-style-type:none; margin-top: 0.5em; padding-left: 0; line-height:1.8em;"> <li> <span style="color:#5C7B2D;"> Chattopadhyay, Tapan Kumar; von Schnering, Hans Georg</span> </li> <li> Zeitschrift für Kristallographie, Vol. 167, Issue 1-2</li> <li> <span class="text-muted related-url">DOI: <a href="https://doi.org/10.1524/zkri.1984.167.1-2.1" class="text-muted" target="_blank" rel="noopener noreferrer">10.1524/zkri.1984.167.1-2.1<span class="fa fa-external-link" aria-hidden="true"></span></a></span> </li> </ul> <hr/> </div> </div> <div class="pagination-container small"> <a class="pure-button prev page" href="#" rel="prev"><span class="fa fa-angle-left"></span></a><ul class="pagination d-inline-block" style="padding-left:.2em;"></ul><a class="pure-button next page" href="#" rel="next"><span class="fa fa-angle-right"></span></a> </div> </div> </div> <div class="col-sm-3 order-sm-3"> <ul class="nav nav-stacked"> <li class="active"><a href="" class="reference-type-filter tab-nav" data-filter="type" data-pattern="*"><span class="fa fa-angle-right"></span> All Cited By</a></li> <li class="small" style="margin-left:.75em; 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list-style-type: none;"> <li> <div class="article item document" itemprop="itemListElement" itemscope itemtype="http://schema.org/WebPage"><meta itemprop="position" content="0" /><div class="item-info"> <h2 class="title" itemprop="name headline"><a href="/biblio/22012089-synthesis-structural-characterization-ternary-zintl-phases-ae-sub-al-sub-pn-sub-ae-sub-ga-sub-pn-sub-ae-ca-sr-ba-eu-pn" itemprop="url">Synthesis and structural characterization of the ternary Zintl phases AE{sub 3}Al{sub 2}Pn{sub 4} and AE{sub 3}Ga{sub 2}Pn{sub 4} (AE=Ca, Sr, Ba, Eu; Pn=P, As)</a></h2> <div class="metadata"> <small class="text-muted" style="text-transform:uppercase;display:block;line-height:2.5em;">Journal Article</small><span class="authors"> <span class="author">He, Hua</span> ; <span class="author">Tyson, Chauntae</span> ; <span class="author">Saito, Maia</span> ; <span class="author">...</span> <span class="text-muted pubdata"> - Journal of Solid State Chemistry</span> </span> </div> <div class="abstract">Ten new ternary phosphides and arsenides with empirical formulae AE{sub 3}Al{sub 2}Pn{sub 4} and AE{sub 3}Ga{sub 2}Pn{sub 4} (AE=Ca, Sr, Ba, Eu; Pn=P, As) have been synthesized using molten Ga, Al, and Pb fluxes. They have been structurally characterized by single-crystal and powder X-ray diffraction to form with two different structures-Ca{sub 3}Al{sub 2}P{sub 4}, Sr{sub 3}Al{sub 2}As{sub 4}, Eu{sub 3}Al{sub 2}P{sub 4}, Eu{sub 3}Al{sub 2}As{sub 4}, Ca{sub 3}Ga{sub 2}P{sub 4}, Sr{sub 3}Ga{sub 2}P{sub 4}, Sr{sub 3}Ga{sub 2}As{sub 4}, and Eu{sub 3}Ga{sub 2}As{sub 4} crystallize with the Ca{sub 3}Al{sub 2}As{sub 4} structure type (space group C2/c, Z=4); Ba{sub 3}Al{sub 2}P{sub 4}<a href='#' onclick='$(this).hide().next().show().next().show();return false;' style='margin-left:10px;'>more »</a><span style='display:none;'> and Ba{sub 3}Al{sub 2}As{sub 4} adopt the Na{sub 3}Fe{sub 2}S{sub 4} structure type (space group Pnma, Z=4). The polyanions in both structures are made up of TrPn{sub 4} tetrahedra, which share common corners and edges to form {sup 2}{sub {infinity}}[TrPn{sub 2}]{sub 3-} layers in the phases with the Ca{sub 3}Al{sub 2}As{sub 4} structure, and {sup 1}{sub {infinity}}[TrPn{sub 2}]{sub 3-} chains in Ba{sub 3}Al{sub 2}P{sub 4} and Ba{sub 3}Al{sub 2}As{sub 4} with the Na{sub 3}Fe{sub 2}S{sub 4} structure type. The valence electron count for all of these compounds follows the Zintl-Klemm rules. Electronic band structure calculations confirm them to be semiconductors. - Graphical abstract: AE{sub 3}Al{sub 2}Pn{sub 4} and AE{sub 3}Ga{sub 2}Pn{sub 4} (AE=Ca, Sr, Ba, Eu; Pn=P, As) crystallize in two different structures-Ca{sub 3}Al{sub 2}P{sub 4}, Sr{sub 3}Al{sub 2}As{sub 4}, Eu{sub 3}Al{sub 2}P{sub 4}, Eu{sub 3}Al{sub 2}As{sub 4}, Ca{sub 3}Ga{sub 2}P{sub 4}, Sr{sub 3}Ga{sub 2}P{sub 4}, Sr{sub 3}Ga{sub 2}As{sub 4}, and Eu{sub 3}Ga{sub 2}As{sub 4}, are isotypic with the previously reported Ca{sub 3}Al{sub 2}As{sub 4} (space group C2/c (No. 15)), while Ba{sub 3}Al{sub 2}P{sub 4} and Ba{sub 3}Al{sub 2}As{sub 4} adopt a different structure known for Na{sub 3}Fe{sub 2}S{sub 4} (space group Pnma (No. 62). The polyanions in both structures are made up of TrPn{sub 4} tetrahedra, which by sharing common corners and edges, form {sup 2}{sub {infinity}}[TrPn{sub 2}]{sub 3-}layers in the former and {sup 1}{sub {infinity}}[TrPn{sub 2}]{sub 3-} chains in Ba{sub 3}Al{sub 2}P{sub 4} and Ba{sub 3}Al{sub 2}As{sub 4}. Highlights: Black-Right-Pointing-Pointer AE{sub 3}Ga{sub 2}Pn{sub 4} (AE=Ca, Sr, Ba, Eu; Pn=P, As) are new ternary pnictides. Black-Right-Pointing-Pointer Ba{sub 3}Al{sub 2}P{sub 4} and Ba{sub 3}Al{sub 2}As{sub 4} adopt the Na{sub 3}Fe{sub 2}S{sub 4} structure type. Black-Right-Pointing-Pointer The Sr- and Ca-compounds crystallize with the Ca{sub 3}Al{sub 2}As{sub 4} structure type. Black-Right-Pointing-Pointer The valence electron count for all title compounds follows the Zintl-Klemm rules.</span><a href='#' onclick='$(this).hide().prev().hide().prev().show();return false;' style='margin-left:10px;display:none;'>« less</a></div><div class="metadata-links small clearfix text-muted" style="margin-top:15px;"> <div class="pure-menu pure-menu-horizontal pull-right" style="width:unset;"> <ul class="pure-menu-list"> <li class="pure-menu-item"><span class="item-info-ftlink">DOI: <a class="misc doi-link " href="https://doi.org/10.1016/J.JSSC.2012.01.042" target="_blank" rel="noopener" title="Link to document DOI" data-ostiid="22012089" data-product-type="Journal Article" data-product-subtype="AC" >10.1016/J.JSSC.2012.01.042</a></span></li> </ul> </div> </div> </div> <div class="clearfix"></div> </div> </li> <li> <div class="article item document" itemprop="itemListElement" itemscope itemtype="http://schema.org/WebPage"><meta itemprop="position" content="1" /><div class="item-info"> <h2 class="title" itemprop="name headline"><a href="/pages/biblio/1595067-five-new-ternary-indium-arsenides-discovered-synthesis-structural-characterization-zintl-phases-sr3in2as4-ba3in2as4-eu3in2as4-sr5in2as6-eu5in2as6" itemprop="url">Five new ternary indium-arsenides discovered. Synthesis and structural characterization of the Zintl phases Sr<sub>3</sub>In<sub>2</sub>As<sub>4</sub>, Ba<sub>3</sub>In<sub>2</sub>As<sub>4</sub>, Eu<sub>3</sub>In<sub>2</sub>As<sub>4</sub>, Sr<sub>5</sub>In<sub>2</sub>As<sub>6</sub> and Eu<sub>5</sub>In<sub>2</sub>As<sub>6</sub></a></h2> <div class="metadata"> <small class="text-muted" style="text-transform:uppercase;display:block;line-height:2.5em;">Journal Article</small><span class="authors"> <span class="author">Childs, Amanda B.</span> ; <span class="author">Baranets, Sviatoslav</span> ; <span class="author">Bobev, Svilen</span> <span class="text-muted pubdata"> - Journal of Solid State Chemistry</span> </span> </div> <div class="abstract">Five new ternary indium aresenides, <em>AE</em><sub>3</sub>In<sub>2</sub>As<sub>4</sub> (<em>AE</em>=Sr, Ba, Eu), and <em>AE</em><sub>5</sub>In<sub>2</sub>As<sub>6</sub> (<em>AE</em>=Sr, Eu), have been synthesized using molten metal In, Pb, and Sn fluxes. Structure elucidation was aided by powder X-ray and single crystal X-ray diffraction. This demonstrated Sr<sub>3</sub>In<sub>2</sub>As<sub>4</sub> and Eu<sub>3</sub>In<sub>2</sub>As<sub>4</sub> are orthorhombic and isostructural to Sr<sub>3</sub>In<sub>2</sub>P<sub>4</sub> (space group <em>Pnnm</em>, <em>Z</em>=2), while Ba<sub>3</sub>In<sub>2</sub>As<sub>4</sub> is monoclinic and isostructural to Ca<sub>3</sub>Al<sub>2</sub>As<sub>4</sub> (space group <em>C</em>2/<em>c</em>, <em>Z</em>=4). In addition, Sr<sub>5</sub>In<sub>2</sub>As<sub>6</sub> and Eu<sub>5</sub>In<sub>2</sub>As<sub>6</sub> crystallize orthorhombically and adopt the Ca<sub>5</sub>Ga<sub>2</sub>As<sub>6</sub> structure type (space group <em>Pbam</em>, <em>Z</em>=2). The valence electron count for all structures conform to the Zintl-Klemm concept, and as such can be rationalized as divalent<a href='#' onclick='$(this).hide().next().show().next().show();return false;' style='margin-left:10px;'>more »</a><span style='display:none;'> Sr, Ba, Eu cations and polyanionic In–As fragments of different dimensionality. In Sr<sub>3</sub>In<sub>2</sub>As<sub>4</sub> and Eu<sub>3</sub>In<sub>2</sub>As<sub>4</sub>, one-dimensional chains [In<sub>2</sub>As<sub>4</sub>]<sup>6–</sup> running along the crystallographic <em>c</em>-axis exist, and they are made up of edge- and corner-shared tetrahedra InAs<sub>4</sub>. The [In<sub>2</sub>As<sub>4</sub>]<sup>6–</sup> two-dimensional sheets in the structure of Ba<sub>3</sub>In<sub>2</sub>As<sub>4</sub> are composed of a pair of edge-shared InAs<sub>4</sub> tetrahedra, that are further connected by corner-sharing. In Sr<sub>5</sub>In<sub>2</sub>As<sub>6</sub> and Eu<sub>5</sub>In<sub>2</sub>As<sub>6</sub>, the InAs<sub>4</sub> tetrahedra are only corner-shared to make infinite [InAs<sub>2</sub>As<sub>2/2</sub>]<sup>6–</sup> chains running along the <em>a</em>-axis, which are dimerized via As–As bonds into [In<sub>2</sub>As<sub>6</sub>]<sup>10-</sup> ribbons. Furthermore, electronic structure calculations affirm these assignments and suggest intrinsic, narrow-gap seminconducting behavior.</span><a href='#' onclick='$(this).hide().prev().hide().prev().show();return false;' style='margin-left:10px;display:none;'>« less</a></div><div class="metadata-links small clearfix text-muted" style="margin-top:15px;"> <span class="fa fa-book text-muted" aria-hidden="true"></span> Cited by 7<div class="pure-menu pure-menu-horizontal pull-right" style="width:unset;"> <ul class="pure-menu-list"> <li class="pure-menu-item"><span class="item-info-ftlink">DOI: <a class="misc doi-link " href="https://doi.org/10.1016/j.jssc.2019.07.050" target="_blank" rel="noopener" title="Link to document DOI" data-ostiid="1595067" data-product-type="Journal Article" data-product-subtype="AM" >10.1016/j.jssc.2019.07.050</a></span></li> </ul> </div> </div> </div> <div class="clearfix"></div> </div> </li> <li> <div class="article item document" itemprop="itemListElement" itemscope itemtype="http://schema.org/WebPage"><meta itemprop="position" content="2" /><div class="item-info"> <h2 class="title" itemprop="name headline"><a href="/biblio/22274065-synthesis-structural-characterization-properties-sral-sub-ge-sub-baal-sub-ge-sub-eual-sub-ge-sub-x0-rare-examples-electron-rich-phases-baal-sub-structure-type" itemprop="url">Synthesis, structural characterization and properties of SrAl{sub 4−x}Ge{sub x}, BaAl{sub 4−x}Ge{sub x}, and EuAl{sub 4−x}Ge{sub x} (x≈0.3–0.4)—Rare examples of electron-rich phases with the BaAl{sub 4} structure type</a></h2> <div class="metadata"> <small class="text-muted" style="text-transform:uppercase;display:block;line-height:2.5em;">Journal Article</small><span class="authors"> <span class="author">Zhang, Jiliang</span> ; <span class="author">Bobev, Svilen</span> <span class="text-muted pubdata"> - Journal of Solid State Chemistry</span> </span> </div> <div class="abstract">Three solid solutions with the general formula AEAl{sub 4−x}Ge{sub x} (AE=Eu, Sr, Ba; 0.32(1)≤x≤0.41(1)) have been synthesized via the aluminum self-flux method, and their crystal structures have been established from powder and single-crystal X-ray diffraction. They are isotypic and crystallize with the well-known BaAl{sub 4} structure type, adopted by the three AEAl{sub 4} end members. In all structures, Ge substitutes Al only at the 4e Wyckoff site. Results from X-rays photoelectron spectroscopy on EuAl{sub 4−x}Ge{sub x} and EuAl{sub 4} indicate that the interactions between the Eu{sup 2+} cations and the polyanionic framework are enhanced in the Ge-doped structure, despite the<a href='#' onclick='$(this).hide().next().show().next().show();return false;' style='margin-left:10px;'>more »</a><span style='display:none;'> slightly elevated Fermi level. Magnetic susceptibility measurements confirm the local moment magnetism, expected for the [Xe]4f{sup 7} electronic configuration of Eu{sup 2+} and suggest strong ferromagnetic interactions at cryogenic temperatures. Resistivity data from single-crystalline samples show differences between the title compounds, implying different bonding characteristics despite the close Debye temperatures. A brief discussion on the observed electron count and homogeneity ranges for AEAl{sub 4−x}Ge{sub x} (AE=Eu, Sr, Ba) is also presented. - Graphical abstract: AEAl{sub 4−x}Ge{sub x} (AE=Eu, Sr, Ba; 0.32(1)≤x≤0.41(1)), three “electron-rich” phases with BaAl{sub 4} structure type have been synthesized and characterized. Display Omitted - Highlights: • Three BaAl{sub 4}-type ternary aluminum germanides have been synthesized with Eu, Sr and Ba. • Eu, Sr and Ba cations have no apparent influence on the solubility of Ge. • The Ge atoms substitute Al on one of two framework sites, thereby strengthening the interactions between the cations and the polyanionic framework.</span><a href='#' onclick='$(this).hide().prev().hide().prev().show();return false;' style='margin-left:10px;display:none;'>« less</a></div><div class="metadata-links small clearfix text-muted" style="margin-top:15px;"> <div class="pure-menu pure-menu-horizontal pull-right" style="width:unset;"> <ul class="pure-menu-list"> <li class="pure-menu-item"><span class="item-info-ftlink">DOI: <a class="misc doi-link " href="https://doi.org/10.1016/J.JSSC.2013.06.023" target="_blank" rel="noopener" title="Link to document DOI" data-ostiid="22274065" data-product-type="Journal Article" data-product-subtype="AC" >10.1016/J.JSSC.2013.06.023</a></span></li> </ul> </div> </div> </div> <div class="clearfix"></div> </div> </li> <li> <div class="article item document" itemprop="itemListElement" itemscope itemtype="http://schema.org/WebPage"><meta itemprop="position" content="3" /><div class="item-info"> <h2 class="title" itemprop="name headline"><a href="/pages/biblio/1240617-synthesis-crystal-electronic-structures-pnictides-ae3trpn3-ae-sr-ba-tr-al-ga-pn" itemprop="url">Synthesis, Crystal and Electronic Structures of the Pnictides AE<sub>3</sub>TrPn<sub>3</sub> (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)</a></h2> <div class="metadata"> <small class="text-muted" style="text-transform:uppercase;display:block;line-height:2.5em;">Journal Article</small><span class="authors"> <span class="author">Stoyko, Stanislav</span> ; <span class="author">Voss, Leonard</span> ; <span class="author">He, Hua</span> ; <span class="author">...</span> <span class="text-muted pubdata"> - Crystals</span> </span> </div> <div class="abstract">New ternary arsenides AE<sub>3</sub>TrAs<sub>3</sub> (AE = Sr, Ba; Tr = Al, Ga) and their phosphide analogs Sr<sub>3</sub>GaP<sub>3</sub> and Ba<sub>3</sub>AlP<sub>3</sub> have been prepared by reactions of the respective elements at high temperatures. Single-crystal X-ray diffraction studies reveal that Sr<sub>3</sub>AlAs<sub>3</sub> and Ba<sub>3</sub>AlAs<sub>3</sub> adopt the Ba<sub>3</sub>AlSb<sub>3</sub>-type structure (Pearson symbol oC56, space group Cmce, Z = 8). This structure is also realized for Sr<sub>3</sub>GaP<sub>3</sub> and Ba<sub>3</sub>AlP<sub>3</sub>. Likewise, the compounds Sr<sub>3</sub>GaAs<sub>3</sub> and Ba<sub>3</sub>GaAs<sub>3</sub> crystallize with the Ba<sub>3</sub>GaSb<sub>3</sub>-type structure (Pearson symbol oP56, space group Pnma, Z = 8). Both structures are made up of isolated pairs of edge-shared AlPn<sub>4</sub> and GaPn<sub>4</sub> tetrahedra (Pn = pnictogen, i.e.,<a href='#' onclick='$(this).hide().next().show().next().show();return false;' style='margin-left:10px;'>more »</a><span style='display:none;'> P or As), separated by the alkaline-earth Sr<sup>2+</sup> and Ba<sup>2+</sup> cations. In both cases, there are no homoatomic bonds, hence, regardless of the slightly different atomic arrangements, both structures can be rationalized as valence-precise [AE<sup>2+</sup>]<sub>3</sub>[Tr<sup>3+</sup>][Pn<sup>3-</sup>]<sub>3</sub>, or rather [AE<sup>2+</sup>]<sub>6</sub>[Tr<sub>2</sub>Pn<sub>6</sub>]<sup>12-</sup>, i.e., as Zintl phases.</span><a href='#' onclick='$(this).hide().prev().hide().prev().show();return false;' style='margin-left:10px;display:none;'>« less</a></div><div class="metadata-links small clearfix text-muted" style="margin-top:15px;"> <span class="fa fa-book text-muted" aria-hidden="true"></span> Cited by 2<div class="pure-menu pure-menu-horizontal pull-right" style="width:unset;"> <ul class="pure-menu-list"> <li class="pure-menu-item"><span class="item-info-ftlink">DOI: <a class="misc doi-link " href="https://doi.org/10.3390/cryst5040433" target="_blank" rel="noopener" title="Link to document DOI" data-ostiid="1240617" data-product-type="Journal Article" data-product-subtype="AM" >10.3390/cryst5040433</a></span></li> <li class="pure-menu-item"><span class="item-info-ftlink"><a class="misc fulltext-link " href="/pages/servlets/purl/1240617" title="Link to document media" target="_blank" rel="noopener" data-ostiid="1240617" data-product-type="Journal Article" data-product-subtype="AM" >Full Text Available</a></span></li> </ul> </div> </div> </div> <div class="clearfix"></div> </div> </li> <li> <div class="article item document" itemprop="itemListElement" itemscope itemtype="http://schema.org/WebPage"><meta itemprop="position" content="4" /><div class="item-info"> <h2 class="title" itemprop="name headline"><a href="/pages/biblio/1595059-synthesis-crystal-electronic-structures-titanium-rich-bismuthides-ae3ti8bi10-ae-sr-ba-eu" itemprop="url">Synthesis, and Crystal and Electronic Structures, of the Titanium-Rich Bismuthides <em>AE</em><sub>3</sub>Ti<sub>8</sub>Bi<sub>10</sub>(<em>AE</em> = Sr, Ba, Eu)</a></h2> <div class="metadata"> <small class="text-muted" style="text-transform:uppercase;display:block;line-height:2.5em;">Journal Article</small><span class="authors"> <span class="author">Ovchinnikov, Alexander</span> ; <span class="author">Bobev, Svilen</span> <span class="text-muted pubdata"> - Inorganic Chemistry</span> </span> </div> <div class="abstract">Three isotypic compounds with the chemical formula AE<sub>3</sub>Ti<sub>8</sub>Bi<sub>10</sub> (AE = Sr, Ba, Eu) have been obtained via both high-temperature solid state and flux growth reactions. Their crystal structure, representing a new type (space group P6<sub>3</sub>/mmc, Pearson symbol hP<sub>42</sub>), features an open framework composed of interlinked TiBi<sub>5</sub> square pyramids and TiBi<sub>6 </sub>octahedra. The Ti–Bi substructure is penetrated by infinite columns of face-sharing AE<sub>6</sub> polyhedra centered by Bi atoms. First-principle calculations and physical property measurements indicate metallic behavior and absence of localized magnetic moments on the Ti atoms. Analysis of the chemical bonding reveals strong Ti–Bi and Ti–Ti bonds. Finally, the latter<a href='#' onclick='$(this).hide().next().show().next().show();return false;' style='margin-left:10px;'>more »</a><span style='display:none;'> demonstrate classic two-center, as well as multicenter interactions.</span><a href='#' onclick='$(this).hide().prev().hide().prev().show();return false;' style='margin-left:10px;display:none;'>« less</a></div><div class="metadata-links small clearfix text-muted" style="margin-top:15px;"> <span class="fa fa-book text-muted" aria-hidden="true"></span> Cited by 2<div class="pure-menu pure-menu-horizontal pull-right" style="width:unset;"> <ul class="pure-menu-list"> <li class="pure-menu-item"><span class="item-info-ftlink">DOI: <a class="misc doi-link " href="https://doi.org/10.1021/acs.inorgchem.8b01952" target="_blank" rel="noopener" title="Link to document DOI" data-ostiid="1595059" data-product-type="Journal Article" data-product-subtype="AM" >10.1021/acs.inorgchem.8b01952</a></span></li> <li class="pure-menu-item"><span class="item-info-ftlink"><a class="misc fulltext-link " href="/pages/servlets/purl/1595059" title="Link to document media" target="_blank" rel="noopener" data-ostiid="1595059" data-product-type="Journal Article" data-product-subtype="AM" >Full Text Available</a></span></li> </ul> </div> </div> </div> <div class="clearfix"></div> </div> </li> </ul> </aside> </div> </section> <section id="biblio-related-works" class="tab-content tab-content-sec" data-tab="related"> <div class="padding"> <p class="lead text-muted" style="font-size: 18px; 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