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Title: Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)

Abstract

New ternary arsenides AE3TrAs3 (AE = Sr, Ba; Tr = Al, Ga) and their phosphide analogs Sr3GaP3 and Ba3AlP3 have been prepared by reactions of the respective elements at high temperatures. Single-crystal X-ray diffraction studies reveal that Sr3AlAs3 and Ba3AlAs3 adopt the Ba3AlSb3-type structure (Pearson symbol oC56, space group Cmce, Z = 8). This structure is also realized for Sr3GaP3 and Ba3AlP3. Likewise, the compounds Sr3GaAs3 and Ba3GaAs3 crystallize with the Ba3GaSb3-type structure (Pearson symbol oP56, space group Pnma, Z = 8). Both structures are made up of isolated pairs of edge-shared AlPn4 and GaPn4 tetrahedra (Pn = pnictogen, i.e., P or As), separated by the alkaline-earth Sr2+ and Ba2+ 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 [AE2+]3[Tr3+][Pn3-]3, or rather [AE2+]6[Tr2Pn6]12-, i.e., as Zintl phases.

Authors:
 [1];  [1];  [1];  [1]
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  1. Univ. of Delaware, Newark, DE (United States)
Publication Date:
Research Org.:
Univ. of Delaware, Newark, DE (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1240617
Grant/Contract Number:  
SC0008885
Resource Type:
Accepted Manuscript
Journal Name:
Crystals
Additional Journal Information:
Journal Volume: 5; Journal Issue: 4; Journal ID: ISSN 2073-4352
Publisher:
MDPI
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; arsenide; barium; crystal structure; phosphide; strontium; Zintl phases

Citation Formats

Stoyko, Stanislav, Voss, Leonard, He, Hua, and Bobev, Svilen. Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As). United States: N. p., 2015. Web. doi:10.3390/cryst5040433.
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Stoyko, Stanislav, Voss, Leonard, He, Hua, & Bobev, Svilen. Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As). United States. https://doi.org/10.3390/cryst5040433
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Stoyko, Stanislav, Voss, Leonard, He, Hua, and Bobev, Svilen. Thu . "Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)". United States. https://doi.org/10.3390/cryst5040433. https://www.osti.gov/servlets/purl/1240617.
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@article{osti_1240617,
title = {Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)},
author = {Stoyko, Stanislav and Voss, Leonard and He, Hua and Bobev, Svilen},
abstractNote = {New ternary arsenides AE3TrAs3 (AE = Sr, Ba; Tr = Al, Ga) and their phosphide analogs Sr3GaP3 and Ba3AlP3 have been prepared by reactions of the respective elements at high temperatures. Single-crystal X-ray diffraction studies reveal that Sr3AlAs3 and Ba3AlAs3 adopt the Ba3AlSb3-type structure (Pearson symbol oC56, space group Cmce, Z = 8). This structure is also realized for Sr3GaP3 and Ba3AlP3. Likewise, the compounds Sr3GaAs3 and Ba3GaAs3 crystallize with the Ba3GaSb3-type structure (Pearson symbol oP56, space group Pnma, Z = 8). Both structures are made up of isolated pairs of edge-shared AlPn4 and GaPn4 tetrahedra (Pn = pnictogen, i.e., P or As), separated by the alkaline-earth Sr2+ and Ba2+ 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 [AE2+]3[Tr3+][Pn3-]3, or rather [AE2+]6[Tr2Pn6]12-, i.e., as Zintl phases.},
doi = {10.3390/cryst5040433},
journal = {Crystals},
number = 4,
volume = 5,
place = {United States},
year = {Thu Sep 24 00:00:00 EDT 2015},
month = {Thu Sep 24 00:00:00 EDT 2015}
}
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https://doi.org/10.3390/cryst5040433
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    Works referencing / citing this record:

    Structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae 3 AlAs 3 ( Ae = Sr, Ba)
    journal, January 2018

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