Ternary antimonide NaCd[subscript 4]Sb[subscript 3]: hydride synthesis, crystal structure and transp

Courteau, Brittany; Gvozdetskyi, Volodymyr; Lee, Shannon; Cox, Tori; Zaikina, Julia V.

doi:10.1002/zaac.202200095

Ternary antimonide NaCd[subscript 4]Sb[subscript 3]: hydride synthesis, crystal structure and transp

Journal Article · 01 August 2022 · J. Inorg. Gen. Chem.

DOI:https://doi.org/10.1002/zaac.202200095· OSTI ID:1900865

Courteau, Brittany; Gvozdetskyi, Volodymyr; Lee, Shannon; Cox, Tori; Zaikina, Julia V.

Research Organization:: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)

Sponsoring Organization:: DOE - Office Of Science; NSF

OSTI ID:: 1900865

Journal Information:: J. Inorg. Gen. Chem., Journal Name: J. Inorg. Gen. Chem. Journal Issue: (15) Vol. 648

Country of Publication:: United States

Language:: ENGLISH

References (60)

Predictive Synthesis Kovnir, Kirill Chemistry of Materials, Vol. 33, Issue 13 https://doi.org/10.1021/acs.chemmater.1c01484	journal	July 2021
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
Composition and the thermoelectric performance of β-Zn4Sb3 Toberer, Eric S.; Rauwel, Protima; Gariel, Sylvain Journal of Materials Chemistry, Vol. 20, Issue 44 https://doi.org/10.1039/c0jm02011g	journal	January 2010
Zintl Phases as Thermoelectric Materials: Tuned Transport Properties of the Compounds CaxYb1-xZn2Sb2 Gascoin, F.; Ottensmann, S.; Stark, D. Advanced Functional Materials, Vol. 15, Issue 11 https://doi.org/10.1002/adfm.200500043	journal	November 2005
Thermal Stability and Thermoelectric Properties of NaZnSb Gvozdetskyi, Volodymyr; Owens-Baird, Bryan; Hong, Sangki Materials, Vol. 12, Issue 1 https://doi.org/10.3390/ma12010048	journal	December 2018
From NaZn ₄ Sb ₃ to HT -Na _{1– x} Zn _{4– y} Sb ₃ : Panoramic Hydride Synthesis, Structural Diversity, and Thermoelectric Properties Gvozdetskyi, Volodymyr; Owens-Baird, Bryan; Hong, Sangki Chemistry of Materials, Vol. 31, Issue 21 https://doi.org/10.1021/acs.chemmater.9b02239	journal	October 2019
Ternäre Pnictide und Chalkogenide von Alkalimetallen und IB-bzw. IIB-Elementen / On Ternary Pnictides and Chalkogenides of Alkaline Metals and IB-resp. II B-Elements Savelsberg, Gerhard Zeitschrift für Naturforschung B, Vol. 33, Issue 4 https://doi.org/10.1515/znb-1978-0404	journal	April 1978
Cadmium antimonide, CdSb Range, K. J.; Pfauntsch, J.; Klement, U. Acta Crystallographica Section C Crystal Structure Communications, Vol. 44, Issue 12 https://doi.org/10.1107/S0108270188009801	journal	December 1988
R factors in Rietveld analysis: How good is good enough? Toby, Brian H. Powder Diffraction, Vol. 21, Issue 1 https://doi.org/10.1154/1.2179804	journal	March 2006
Metallische Schmelzen - Reaktionsmedien zur Präparation intermetallischer Verbindungen Kanatzidis, Mercouri G.; Pöttgen, Rainer; Jeitschko, Wolfgang Angewandte Chemie, Vol. 117, Issue 43 https://doi.org/10.1002/ange.200462170	journal	November 2005
Thermoelectric properties and electronic structure of Zintl compound BaZn2Sb2 Wang, Xiao-Jun; Tang, Mei-Bo; Zhao, Jing-Tai Applied Physics Letters, Vol. 90, Issue 23 https://doi.org/10.1063/1.2746408	journal	June 2007
Clathrate XI K ₅₈ Zn ₁₂₂ Sb ₂₀₇ : A New Branch on the Clathrate Family Tree Cox, Tori; Gvozdetskyi, Volodymyr; Bertolami, Mark Angewandte Chemie, Vol. 133, Issue 1 https://doi.org/10.1002/ange.202011120	journal	October 2020
Relationship between thermoelectric figure of merit and energy conversion efficiency Kim, Hee Seok; Liu, Weishu; Chen, Gang Proceedings of the National Academy of Sciences, Vol. 112, Issue 27 https://doi.org/10.1073/pnas.1510231112	journal	June 2015
Ternary Rare-Earth Arsenides REZn ₃ As ₃ (RE = La–Nd, Sm) and RECd ₃ As ₃ (RE = La–Pr) Stoyko, Stanislav S.; Mar, Arthur Inorganic Chemistry, Vol. 50, Issue 21 https://doi.org/10.1021/ic201708x	journal	November 2011
A Rational Approach to Solid State Synthesis—The Zintl Concept Kauzlarich, Susan M. Comments on Inorganic Chemistry, Vol. 10, Issue 2-3 https://doi.org/10.1080/02603599008050859	journal	May 1990
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Ternary ACd ₄ P ₃ (A = Na, K) Nanostructures via a Hydride Solution-Phase Route Medina-Gonzalez, Alan M.; Yox, Philip; Chen, Yunhua ACS Materials Au, Vol. 1, Issue 2 https://doi.org/10.1021/acsmaterialsau.1c00018	journal	July 2021
Ternary and higher pnictides; prospects for new materials and applications Cameron, Jamie M.; Hughes, Robert W.; Zhao, Yimin Chemical Society Reviews, Vol. 40, Issue 7 https://doi.org/10.1039/c0cs00132e	journal	January 2011
Enhanced Thermoelectric Figure of Merit of Zintl Phase YbCd2-xMnxSb2 by Chemical Substitution Guo, Kai; Cao, Qi-Gao; Feng, Xian-Juan European Journal of Inorganic Chemistry, Vol. 2011, Issue 26 https://doi.org/10.1002/ejic.201100282	journal	August 2011
Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems Bell, L. E. Science, Vol. 321, Issue 5895, p. 1457-1461 https://doi.org/10.1126/science.1158899	journal	September 2008
Advanced Thermoelectric Design: From Materials and Structures to Devices Shi, Xiao-Lei; Zou, Jin; Chen, Zhi-Gang Chemical Reviews, Vol. 120, Issue 15 https://doi.org/10.1021/acs.chemrev.0c00026	journal	July 2020
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Zintl phases with group 15 elements and the transition metals: A brief overview of pnictides with diverse and complex structures Ovchinnikov, Alexander; Bobev, Svilen Journal of Solid State Chemistry, Vol. 270 https://doi.org/10.1016/j.jssc.2018.11.029	journal	February 2019
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases Kanatzidis, Mercouri G. Inorganic Chemistry, Vol. 56, Issue 6 https://doi.org/10.1021/acs.inorgchem.7b00188	journal	March 2017
A versatile low temperature synthetic route to Zintl phase precursors: Na₄Si₄, Na₄Ge₄ and K₄Ge₄ as examples Ma, Xuchu; Xu, Fen; Atkins, Tonya M. Dalton Transactions, Vol. 0, Issue 46, p. 10250-10255 https://doi.org/10.1039/b913320h	journal	January 2009
New and Old Concepts in Thermoelectric Materials Sootsman, Joseph R.; Chung, Duck Young; Kanatzidis, Mercouri G. Angewandte Chemie International Edition, Vol. 48, Issue 46, p. 8616-8639 https://doi.org/10.1002/anie.200900598	journal	November 2009
Ternary K ₂ Zn ₅ As ₄ -type pnictides Rb ₂ Cd ₅ As ₄ and Rb ₂ Zn ₅ Sb ₄ , and the solid solution Rb ₂ Cd ₅ (As,Sb) ₄ He, Hua; Stoyko, Stanislav S.; Mar, Arthur Acta Crystallographica Section C Crystal Structure Communications, Vol. 69, Issue 5 https://doi.org/10.1107/S010827011300766X	journal	April 2013
A Concept for Synthesis Planning in Solid-State Chemistry Jansen, Martin Angewandte Chemie International Edition, Vol. 41, Issue 20 https://doi.org/10.1002/1521-3773(20021018)41:20<3746::AID-ANIE3746>3.0.CO;2-2	journal	October 2002
Homologous Series of Rare-Earth Zinc Arsenides RE Zn _{2– x} As ₂ · n ( RE As) ( RE = La–Nd, Sm; n = 3, 4, 5, 6) Lin, Xinsong; Mar, Arthur Inorganic Chemistry, Vol. 52, Issue 12 https://doi.org/10.1021/ic400933v	journal	May 2013
The Metal Flux: A Preparative Tool for the Exploration of Intermetallic Compounds Kanatzidis, Mercouri G.; Pöttgen, Rainer; Jeitschko, Wolfgang Angewandte Chemie International Edition, Vol. 44, Issue 43 https://doi.org/10.1002/anie.200462170	journal	November 2005
Promising materials for thermoelectric applications Cai, Bowen; Hu, Haihua; Zhuang, Hua-Lu Journal of Alloys and Compounds, Vol. 806 https://doi.org/10.1016/j.jallcom.2019.07.147	journal	October 2019
Eight-Coordinated Arsenic in the Zintl Phases RbCd ₄ As ₃ and RbZn ₄ As ₃ : Synthesis and Structural Characterization He, Hua; Tyson, Chauntae; Bobev, Svilen Inorganic Chemistry, Vol. 50, Issue 17 https://doi.org/10.1021/ic2009418	journal	September 2011
Synthesis of Metastable Inorganic Solids with Extended Structures Cordova, Dmitri Leo M.; Johnson, David C. ChemPhysChem, Vol. 21, Issue 13 https://doi.org/10.1002/cphc.202000199	journal	June 2020
Thermoelectric power generation: from new materials to devices Tan, Gangjian; Ohta, Michihiro; Kanatzidis, Mercouri G. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2152 https://doi.org/10.1098/rsta.2018.0450	journal	July 2019
Rapid Phase Screening via Hydride Route: A Discovery of K _{8– x} Zn _{18+3 x} Sb ₁₆ Cox, Tori; Gvozdetskyi, Volodymyr; Owens-Baird, Bryan Chemistry of Materials, Vol. 30, Issue 23 https://doi.org/10.1021/acs.chemmater.8b04211	journal	November 2018
Expanding the I–II–V Phase Space: Soft Synthesis of Polytypic Ternary and Binary Zinc Antimonides White, Miles A.; Baumler, Katelyn J.; Chen, Yunhua Chemistry of Materials, Vol. 30, Issue 17 https://doi.org/10.1021/acs.chemmater.8b02910	journal	August 2018
Structure of Cd _12.7(1) Sb ₁₀ Zelinska, Oksana Ya.; Bie, Haiying; Mar, Arthur Chemistry of Materials, Vol. 19, Issue 6 https://doi.org/10.1021/cm0629659	journal	February 2007
In situ studies of a platform for metastable inorganic crystal growth and materials discovery Shoemaker, D. P.; Hu, Y. -J.; Chung, D. Y. Proceedings of the National Academy of Sciences, Vol. 111, Issue 30 https://doi.org/10.1073/pnas.1406211111	journal	July 2014
A short history of SHELX Sheldrick, George M. Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122 https://doi.org/10.1107/S0108767307043930	journal	December 2007
Facile Synthesis of Ba _{1– x} K _x Fe ₂ As ₂ Superconductors via Hydride Route Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M. Journal of the American Chemical Society, Vol. 136, Issue 48 https://doi.org/10.1021/ja509907r	journal	November 2014
Data-Driven Review of Thermoelectric Materials: Performance and Resource Considerations Gaultois, Michael W.; Sparks, Taylor D.; Borg, Christopher K. H. Chemistry of Materials, Vol. 25, Issue 15 https://doi.org/10.1021/cm400893e	journal	May 2013
Denken wie ein Chemiker: Thermoelektrika intuitiv Zeier, Wolfgang G.; Zevalkink, Alex; Gibbs, Zachary M. Angewandte Chemie, Vol. 128, Issue 24 https://doi.org/10.1002/ange.201508381	journal	April 2016
Yb ₁₄ MnSb ₁₁ : New High Efficiency Thermoelectric Material for Power Generation Brown, Shawna R.; Kauzlarich, Susan M.; Gascoin, Franck Chemistry of Materials, Vol. 18, Issue 7 https://doi.org/10.1021/cm060261t	journal	April 2006
Disordered zinc in Zn4Sb3 with phonon-glass and electron-crystal thermoelectric properties Snyder, G. Jeffrey; Christensen, Mogens; Nishibori, Eiji Nature Materials, Vol. 3, Issue 7 https://doi.org/10.1038/nmat1154	journal	June 2004
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Electronic structure and transport in thermoelectric compounds AZn2Sb2 (A = Sr, Ca, Yb, Eu) Toberer, Eric S.; May, Andrew F.; Melot, Brent C. Dalton Trans., Vol. 39, Issue 4 https://doi.org/10.1039/B914172C	journal	January 2010
Computationally guided discovery of thermoelectric materials Gorai, Prashun; Stevanović, Vladan; Toberer, Eric S. Nature Reviews Materials, Vol. 2, Issue 9 https://doi.org/10.1038/natrevmats.2017.53	journal	August 2017
Thermoelectric cooler application in electronic cooling Chein, Reiyu; Huang, Guanming Applied Thermal Engineering, Vol. 24, Issue 14-15 https://doi.org/10.1016/j.applthermaleng.2004.03.001	journal	October 2004
Alte und neue Konzepte für thermoelektrische Materialien Sootsman, Joseph R.; Chung, Duck Young; Kanatzidis, Mercouri G. Angewandte Chemie, Vol. 121, Issue 46 https://doi.org/10.1002/ange.200900598	journal	November 2009
Routes for high-performance thermoelectric materials Zhou, Xiaoyuan; Yan, Yanci; Lu, Xu Materials Today, Vol. 21, Issue 9 https://doi.org/10.1016/j.mattod.2018.03.039	journal	November 2018
Hydride assisted synthesis of the high temperature thermoelectric phase: Yb 14 MgSb 11 Justl, Andrew P.; Cerretti, Giacomo; Bux, Sabah K. Journal of Applied Physics, Vol. 126, Issue 16 https://doi.org/10.1063/1.5117291	journal	October 2019
Polymorphism in Zintl Phases ACd ₄ Pn ₃ : Modulated Structures of NaCd ₄ Pn ₃ with Pn = P, As Grotz, Carolin; Baumgartner, Maximilian; Freitag, Katharina M. Inorganic Chemistry, Vol. 55, Issue 15 https://doi.org/10.1021/acs.inorgchem.6b01233	journal	July 2016
Clathrate XI K ₅₈ Zn ₁₂₂ Sb ₂₀₇ : A New Branch on the Clathrate Family Tree Cox, Tori; Gvozdetskyi, Volodymyr; Bertolami, Mark Angewandte Chemie International Edition, Vol. 60, Issue 1 https://doi.org/10.1002/anie.202011120	journal	October 2020
The remarkable crystal chemistry of the Ca14AlSb11 structure type, magnetic and thermoelectric properties Hu, Yufei; Cerretti, Giacomo; Kunz Wille, Elizabeth L. Journal of Solid State Chemistry, Vol. 271 https://doi.org/10.1016/j.jssc.2018.12.037	journal	March 2019
Thinking Like a Chemist: Intuition in Thermoelectric Materials Zeier, Wolfgang G.; Zevalkink, Alex; Gibbs, Zachary M. Angewandte Chemie International Edition, Vol. 55, Issue 24 https://doi.org/10.1002/anie.201508381	journal	April 2016
Complex thermoelectric materials Snyder, G. Jeffrey; Toberer, Eric S. Nature Materials, Vol. 7, Issue 2, p. 105-114 https://doi.org/10.1038/nmat2090	journal	February 2008
Ein Konzept zur Syntheseplanung in der Festkörperchemie Jansen, Martin Angewandte Chemie, Vol. 114, Issue 20 https://doi.org/10.1002/1521-3757(20021018)114:20<3896::AID-ANGE3896>3.0.CO;2-Z	journal	October 2002
Ternary Zinc Antimonides Unlocked Using Hydride Synthesis Gvozdetskyi, Volodymyr; Lee, Shannon J.; Owens-Baird, Bryan Inorganic Chemistry, Vol. 60, Issue 14 https://doi.org/10.1021/acs.inorgchem.1c01381	journal	June 2021
Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg ₄ Sb ₃ Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill Journal of Materials Chemistry A, Vol. 6, Issue 11 https://doi.org/10.1039/C8TA00553B	journal	January 2018

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