Journal article
Authors list: Neuberger, Sven; Culver, Sean P.; Eckert, Hellmut; Zeier, Wolfgang G.; Guenne, Joern Schmedt Auf Der
Publication year: 2018
Pages: 11691-11695
Journal: Dalton Transactions
Volume number: 47
Issue number: 33
ISSN: 1477-9226
eISSN: 1477-9234
DOI Link: https://doi.org/10.1039/c8dt02619j
Publisher: Royal Society of Chemistry
Abstract:
The structure of Li4P2S6 was solved, based on a combination of X-ray powder diffraction data, quantum chemical calculations and solid state nuclear magnetic resonance (NMR). Two-dimensional P-31 single quantum/double quantum correlation spectra yielded important constraints regarding the space group symmetry allowing the crystal structure to be solved by the Rietveld method. Li4P2S6 crystallizes in a trigonal space group with a = 10.51452(6) angstrom; c = 6.59149(8) angstrom. The structure contains two distinct P2S64- ions in a 2:1 ratio: in the first one the two P atoms of the hexahypothiophosphate unit are crystallographically distinct, whereas in the second one they are crystallographically identical.
Citation Styles
Harvard Citation style: Neuberger, S., Culver, S., Eckert, H., Zeier, W. and Guenne, J. (2018) Refinement of the crystal structure of Li4P2S6 using NMR crystallography, Dalton Transactions, 47(33), pp. 11691-11695. https://doi.org/10.1039/c8dt02619j
APA Citation style: Neuberger, S., Culver, S., Eckert, H., Zeier, W., & Guenne, J. (2018). Refinement of the crystal structure of Li4P2S6 using NMR crystallography. Dalton Transactions. 47(33), 11691-11695. https://doi.org/10.1039/c8dt02619j
Keywords
IONIC CONDUCTOR; LITHIUM SUPERIONIC CONDUCTOR; NUCLEAR-MAGNETIC-RESONANCE; THIO-LISICON
