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Title: Syntheses, and crystal and electronic structures of the new Zintl phases Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb): Structural relationship with Yb{sub 2}CdSb{sub 2} and the solid solutions Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} and Eu{sub 2-x}Yb{sub x}CdSb{sub 2}

Abstract

Presented are the details of the syntheses, crystal and electronic structures of a new family of Zintl phases Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb), as well as the solid solutions Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} and Eu{sub 2-x}Yb{sub x}CdSb{sub 2}. The structures of Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb) were determined to be of a new type with the non-centrosymmetric space group Pmc2{sub 1} (no. 26), Pearson symbol oP12, with lattice parameters a=4.684(1)-4.788(1) A; b=9.099(3)-9.117(2) A; c=7.837(1)-8.057(2) A for the Na{sub 2}ACdSb{sub 2} series, and a=4.6637(9)-5.0368(8) A; b=9.100(2)-9.8183(15) A; and c=7.7954(15)-8.4924(13) A for K{sub 2}ACdSb{sub 2}, respectively. The solid solutions Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} and Eu{sub 2-x}Yb{sub x}CdSb{sub 2} (x{approx}1) are isostructural and isoelectronic to the recently reported Yb{sub 2}CdSb{sub 2} (space group Cmc2{sub 1} (no. 36), Pearson symbol cP20). All discussed structures are based upon CdSb{sub 2}{sup 4-} polyanionic layers, similar to the ones observed in Yb{sub 2}CdSb{sub 2}, with various alkali- and/or alkaline-earth cations coordinated to them. Magnetic susceptibility and Seebeck coefficient measurements on selected Eu{sub 2-x}Yb{sub x}CdSb{sub 2} samples, taken at low temperatures up to 300 K, aremore » also reported. -- Graphical abstract: The quaternary Zintl phases Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb) with novel layered structures have been synthesized for the first time and structurally characterized by single-crystal X-ray diffraction. Reported as well are the results from crystallographic and property studies of the closely related solid solutions Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} (x{approx}1), and Eu{sub 2-x}Yb{sub x}CdSb{sub 2} (1<x{<=}2). Display Omitted Research highlights: {yields} Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb) are new quaternary Zintl phases. {yields} Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} (x{approx}1), and Eu{sub 2-x}Yb{sub x}CdSb{sub 2} (1<x<2) are solid solutions. {yields} Both structures are layered, based on corner-shared CdSb{sub 4} tetrahedra. {yields} Eu{sub 2-x}Yb{sub x}CdSb{sub 2} (1<x<2) exhibit high Seebeck coefficient (217 {mu}V/K at RT).« less

Authors:
;  [1];  [1]
  1. Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716 (United States)
Publication Date:
OSTI Identifier:
21494201
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 184; Journal Issue: 2; Other Information: DOI: 10.1016/j.jssc.2010.12.015; PII: S0022-4596(10)00561-X; Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ANTIMONY COMPOUNDS; BARIUM COMPOUNDS; CADMIUM COMPOUNDS; CALCIUM COMPOUNDS; CRYSTALLOGRAPHY; ELECTRONIC STRUCTURE; EUROPIUM COMPOUNDS; LATTICE PARAMETERS; LAYERS; MAGNETIC SUSCEPTIBILITY; MONOCRYSTALS; ORTHORHOMBIC LATTICES; POTASSIUM COMPOUNDS; SODIUM COMPOUNDS; SOLID SOLUTIONS; SPACE GROUPS; STRONTIUM COMPOUNDS; SYNTHESIS; TEMPERATURE RANGE 0400-1000 K; THERMOELECTRIC PROPERTIES; X-RAY DIFFRACTION; YTTERBIUM COMPOUNDS; ALKALI METAL COMPOUNDS; ALKALINE EARTH METAL COMPOUNDS; COHERENT SCATTERING; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CRYSTALS; DIFFRACTION; DISPERSIONS; ELECTRICAL PROPERTIES; HOMOGENEOUS MIXTURES; MAGNETIC PROPERTIES; MIXTURES; PHYSICAL PROPERTIES; RARE EARTH COMPOUNDS; SCATTERING; SOLUTIONS; SYMMETRY GROUPS; TEMPERATURE RANGE

Citation Formats

Saparov, Bayrammurad, Saito, Maia, and Bobev, Svilen. Syntheses, and crystal and electronic structures of the new Zintl phases Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb): Structural relationship with Yb{sub 2}CdSb{sub 2} and the solid solutions Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} and Eu{sub 2-x}Yb{sub x}CdSb{sub 2}. United States: N. p., 2011. Web. doi:10.1016/j.jssc.2010.12.015.
Saparov, Bayrammurad, Saito, Maia, & Bobev, Svilen. Syntheses, and crystal and electronic structures of the new Zintl phases Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb): Structural relationship with Yb{sub 2}CdSb{sub 2} and the solid solutions Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} and Eu{sub 2-x}Yb{sub x}CdSb{sub 2}. United States. doi:10.1016/j.jssc.2010.12.015.
Saparov, Bayrammurad, Saito, Maia, and Bobev, Svilen. Tue . "Syntheses, and crystal and electronic structures of the new Zintl phases Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb): Structural relationship with Yb{sub 2}CdSb{sub 2} and the solid solutions Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} and Eu{sub 2-x}Yb{sub x}CdSb{sub 2}". United States. doi:10.1016/j.jssc.2010.12.015.
@article{osti_21494201,
title = {Syntheses, and crystal and electronic structures of the new Zintl phases Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb): Structural relationship with Yb{sub 2}CdSb{sub 2} and the solid solutions Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} and Eu{sub 2-x}Yb{sub x}CdSb{sub 2}},
author = {Saparov, Bayrammurad and Saito, Maia and Bobev, Svilen},
abstractNote = {Presented are the details of the syntheses, crystal and electronic structures of a new family of Zintl phases Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb), as well as the solid solutions Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} and Eu{sub 2-x}Yb{sub x}CdSb{sub 2}. The structures of Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb) were determined to be of a new type with the non-centrosymmetric space group Pmc2{sub 1} (no. 26), Pearson symbol oP12, with lattice parameters a=4.684(1)-4.788(1) A; b=9.099(3)-9.117(2) A; c=7.837(1)-8.057(2) A for the Na{sub 2}ACdSb{sub 2} series, and a=4.6637(9)-5.0368(8) A; b=9.100(2)-9.8183(15) A; and c=7.7954(15)-8.4924(13) A for K{sub 2}ACdSb{sub 2}, respectively. The solid solutions Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} and Eu{sub 2-x}Yb{sub x}CdSb{sub 2} (x{approx}1) are isostructural and isoelectronic to the recently reported Yb{sub 2}CdSb{sub 2} (space group Cmc2{sub 1} (no. 36), Pearson symbol cP20). All discussed structures are based upon CdSb{sub 2}{sup 4-} polyanionic layers, similar to the ones observed in Yb{sub 2}CdSb{sub 2}, with various alkali- and/or alkaline-earth cations coordinated to them. Magnetic susceptibility and Seebeck coefficient measurements on selected Eu{sub 2-x}Yb{sub x}CdSb{sub 2} samples, taken at low temperatures up to 300 K, are also reported. -- Graphical abstract: The quaternary Zintl phases Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb) with novel layered structures have been synthesized for the first time and structurally characterized by single-crystal X-ray diffraction. Reported as well are the results from crystallographic and property studies of the closely related solid solutions Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} (x{approx}1), and Eu{sub 2-x}Yb{sub x}CdSb{sub 2} (1<x{<=}2). Display Omitted Research highlights: {yields} Na{sub 2}ACdSb{sub 2} and K{sub 2}ACdSb{sub 2} (A=Ca, Sr, Ba, Eu, Yb) are new quaternary Zintl phases. {yields} Sr{sub 2-x}A{sub x}CdSb{sub 2}, Ba{sub 2-x}A{sub x}CdSb{sub 2} (x{approx}1), and Eu{sub 2-x}Yb{sub x}CdSb{sub 2} (1<x<2) are solid solutions. {yields} Both structures are layered, based on corner-shared CdSb{sub 4} tetrahedra. {yields} Eu{sub 2-x}Yb{sub x}CdSb{sub 2} (1<x<2) exhibit high Seebeck coefficient (217 {mu}V/K at RT).},
doi = {10.1016/j.jssc.2010.12.015},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 2,
volume = 184,
place = {United States},
year = {2011},
month = {2}
}