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Title: Crystal Chemistry of RE 6Mg xCd 23-xPb [0.6(1) ≤ x ≤ 3.2(1); RE = La and Ce]. New Mixed-Metal Derivatives of the RE 6Cd 23 T Phases ( T = Group 14/15/16 Element)

Abstract

Synthesis and crystal structure determinations are reported for six quaternary phases with the general formula RE 6Mg xCd 23-xPb [RE = La, Ce; 0.6(1) ≤ x ≤ 3.2(1)]. These compounds were prepared by high temperature reaction of the elements in sealed Nb tubes. As revealed by powder and single-crystal X-ray diffraction, their crystal structures are of the cubic Zr 6Zn 23Si system (cF120, Fm3m, Z = 4), itself an interstitially filled variant of the Th 6Mn 23 structure type. Finally, rather than distributing equally across the entire Cd 23 sub-lattice, Mg displayed a tendency to accumulate at specific sites (most notably 4a); charge differences between sites within the sub-lattice, as revealed by computational methods, are the likeliest explanation.

Authors:
 [1];  [2];  [2]
  1. Univ. of Delaware, Newark, DE (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
  2. 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) (SC-22)
OSTI Identifier:
1595054
Alternate Identifier(s):
OSTI ID: 1469407
Grant/Contract Number:  
SC0008885; SC-0008885
Resource Type:
Accepted Manuscript
Journal Name:
Zeitschrift fuer Anorganische und Allgemeine Chemie
Additional Journal Information:
Journal Volume: 644; Journal Issue: 24; Journal ID: ISSN 0044-2313
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Intermetallic phases; Solid-state structures; Electronic structure; Lanthanides; Cadmium

Citation Formats

Desroches, Griffen, Ovchinnikov, Alexander, and Bobev, Svilen. Crystal Chemistry of RE6MgxCd23-xPb [0.6(1) ≤ x ≤ 3.2(1); RE = La and Ce]. New Mixed-Metal Derivatives of the RE6Cd23T Phases (T = Group 14/15/16 Element). United States: N. p., 2018. Web. doi:10.1002/zaac.201800317.
Desroches, Griffen, Ovchinnikov, Alexander, & Bobev, Svilen. Crystal Chemistry of RE6MgxCd23-xPb [0.6(1) ≤ x ≤ 3.2(1); RE = La and Ce]. New Mixed-Metal Derivatives of the RE6Cd23T Phases (T = Group 14/15/16 Element). United States. doi:10.1002/zaac.201800317.
Desroches, Griffen, Ovchinnikov, Alexander, and Bobev, Svilen. Tue . "Crystal Chemistry of RE6MgxCd23-xPb [0.6(1) ≤ x ≤ 3.2(1); RE = La and Ce]. New Mixed-Metal Derivatives of the RE6Cd23T Phases (T = Group 14/15/16 Element)". United States. doi:10.1002/zaac.201800317. https://www.osti.gov/servlets/purl/1595054.
@article{osti_1595054,
title = {Crystal Chemistry of RE6MgxCd23-xPb [0.6(1) ≤ x ≤ 3.2(1); RE = La and Ce]. New Mixed-Metal Derivatives of the RE6Cd23T Phases (T = Group 14/15/16 Element)},
author = {Desroches, Griffen and Ovchinnikov, Alexander and Bobev, Svilen},
abstractNote = {Synthesis and crystal structure determinations are reported for six quaternary phases with the general formula RE6MgxCd23-xPb [RE = La, Ce; 0.6(1) ≤ x ≤ 3.2(1)]. These compounds were prepared by high temperature reaction of the elements in sealed Nb tubes. As revealed by powder and single-crystal X-ray diffraction, their crystal structures are of the cubic Zr6Zn23Si system (cF120, Fm3m, Z = 4), itself an interstitially filled variant of the Th6Mn23 structure type. Finally, rather than distributing equally across the entire Cd23 sub-lattice, Mg displayed a tendency to accumulate at specific sites (most notably 4a); charge differences between sites within the sub-lattice, as revealed by computational methods, are the likeliest explanation.},
doi = {10.1002/zaac.201800317},
journal = {Zeitschrift fuer Anorganische und Allgemeine Chemie},
number = 24,
volume = 644,
place = {United States},
year = {2018},
month = {9}
}

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    Works referencing / citing this record:

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    journal, February 2013

    • Samal, Saroj L.; Gulo, Fakhili; Corbett, John D.
    • Inorganic Chemistry, Vol. 52, Issue 5
    • DOI: 10.1021/ic302767b

    Magnetic and structural characteristics of Ho6Fe23 deuterides
    journal, March 1983


    Crystal structures and hydrogen-induced decomposition of La(Mg1−xAlx)3 alloys
    journal, June 2006


    Preferential ordering of Mn and Fe Atoms in Y6(Fe1−xMnx)23
    journal, January 1980


    A local exchange-correlation potential for the spin polarized case. i
    journal, July 1972


    Atomic Radii and Interatomic Distances in Metals
    journal, March 1947

    • Pauling, Linus
    • Journal of the American Chemical Society, Vol. 69, Issue 3
    • DOI: 10.1021/ja01195a024

    Сrystal structure and physical properties of the new ternary antimonides Ln3Pd8Sb4 (Ln=Y, Gd, Tb, Dy, Ho, Er, Tm)
    journal, September 2010

    • Zelinska, Mariya; Oryshchyn, Stepan; Zhak, Оlga
    • Journal of Solid State Chemistry, Vol. 183, Issue 9
    • DOI: 10.1016/j.jssc.2010.07.002

    Magnetic and structural properties of Y6−xErxFe23 alloys and their hydrides
    journal, March 1983


    Alloying behaviour of manganese with basic metals: PrMn system
    journal, June 1985


    Rare earth intermediate phases with cadmium
    journal, March 1973


    Crystal structure and electronic properties of the new compounds, U6Fe16Si7 and its interstitial carbide U6Fe16Si7C
    journal, October 2007


    Synthesis, properties and crystal structure of Zr6Zn23Si with “filled” Th6Mn23 type structure
    journal, February 1996


    Neutron diffraction study of Ho5YFe23 and Ho5YFe23D16 deuteride
    journal, December 2005


    Critic2: A program for real-space analysis of quantum chemical interactions in solids
    journal, March 2014

    • Otero-de-la-Roza, A.; Johnson, Erin R.; Luaña, Víctor
    • Computer Physics Communications, Vol. 185, Issue 3
    • DOI: 10.1016/j.cpc.2013.10.026

    New intermediate phases in the ternary systems rare earth-transition element-aluminium
    journal, December 1988


    Peculiarity of component interaction in Er–Fe–Sn ternary system at 670K and 770K
    journal, September 2010


    Covalent radii revisited
    journal, January 2008

    • Cordero, Beatriz; Gómez, Verónica; Platero-Prats, Ana E.
    • Dalton Transactions, Issue 21
    • DOI: 10.1039/b801115j

    Relativistic Effects and Gold Site Distributions: Synthesis, Structure, and Bonding in a Polar Intermetallic Na 6 Cd 16 Au 7
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    • Samal, Saroj L.; Corbett, John D.
    • Inorganic Chemistry, Vol. 50, Issue 15
    • DOI: 10.1021/ic200501h

    Factors determining the average atomic volumes in intermetallic compounds
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    Thermodynamic, kinetic, structural, and surface studies of yttrium-iron-manganese (Y6Fe23-xMnx) alloys and their hydrides
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    • Bayer, George; Wallace, W. E.
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    Synthesis and structural characterization of RE6Cd23T (RE=La–Gd; T=Sn, Sb, Pb, and Bi)
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