Refinement of the crystal structure of Li4P2S6 using NMR crystallography.
NEUBERGER, Sven; CULVER, Sean P.; ECKERT, Hellmut; ZEIER, Wolfgang G.; GÜNNE, Jörn Schmedt auf der.
NEUBERGER, Sven; CULVER, Sean P.; ECKERT, Hellmut; ZEIER, Wolfgang G.; GÜNNE, Jörn Schmedt auf der.
 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 31P 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) Å; c = 6.59149(8) Å. The structure contains two distinct P2S6 4- 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. | |
| Dalton Transactions |
| v. 47, n. 33, p. 11691-11695 - Ano: 2018 |
| Fator de Impacto: 4,099 |
| http://dx.doi.org/10.1039/c8dt02619j |  @article={002903207,author = {NEUBERGER, Sven; CULVER, Sean P.; ECKERT, Hellmut; ZEIER, Wolfgang G.; GÜNNE, Jörn Schmedt auf der.},title={Refinement of the crystal structure of Li4P2S6 using NMR crystallography},journal={Dalton Transactions},note={v. 47, n. 33, p. 11691-11695},year={2018}} |
