The Local Atomic Structure and Chemical Bonding in Sodium Tin Phases

Baggetto, Loic; Bridges, Craig A.; Jumas, Dr. Jean-Claude; Mullins, David R.; Carroll, Kyler J.; Meisner, Roberta; Crumlin, Ethan; Liu, Xiason; Yang, Wanli; Veith, Gabriel M.

doi:10.1039/C4TA04356A

Title: The Local Atomic Structure and Chemical Bonding in Sodium Tin Phases

Journal Article · Thu Sep 25 00:00:00 EDT 2014 · Journal of Materials Chemistry. A

DOI:https://doi.org/10.1039/C4TA04356A· OSTI ID:1185716

Baggetto, Loic ^[1]; Bridges, Craig A. ^[1]; Jumas, Dr. Jean-Claude ^[2]; Mullins, David R. ^[1]; Carroll, Kyler J. ^[3]; Meisner, Roberta ^[1]; Crumlin, Ethan ^[3]; Liu, Xiason ^[4]; Yang, Wanli ^[4]; Veith, Gabriel M. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. Montpellier II (France)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)

To understand these electrochemically-derived materials we have reinvestigated the formation of Na-Sn alloys to identify all the phases which form when x ≥ 1 (NaxSn) and characterized the local bonding around the Sn atoms with X-ray diffraction, ¹¹⁹Sn M ssbauer spectroscopy, and X-ray absorption spectroscopies. The results from the well-defined crystallographic materials were compared to the spectroscopic measurements of the local Sn structures in the electrochemically prepared materials. The reinvestigation of the Na-Sn compounds yields a number of new results: (i) Na₇Sn₃ is a new thermodynamically-stable phase with a rhombohedral structure and R-3m space group; (ii) orthorhombic Na₉Sn₄ (Cmcm) has relatively slow formation kinetics suggesting why it does not form at room temperature during the electrochemical reaction; (iii) orthorhombic Na_14.78Sn₄ (Pnma), better described as Na_16-xSn₄, is Na-richer than cubic Na₁₅Sn₄ (I-43d). Characterization of electrochemically prepared Na-Sn alloys indicate that, at the exception of Na₇Sn₃ and Na₁₅Sn₄, different crystal structures than similar Na-Sn compositions prepared via classic solid state reactions are formed. These phases are composed of disordered structures characteristic of kinetic-driven solid-state amorphization reactions. In these structures, Sn coordinates in asymmetric environments, which differ significantly from the environments present in Na-Sn model compounds.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1185716

Journal Information:: Journal of Materials Chemistry. A, Vol. 2, Issue 44; ISSN 2050-7488

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 29 works

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