Crystallography Open Database

Information card for entry 3000203

Preview

Coordinates	3000203.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetralithium thiodiphosphate
Chemical name	Tetralithium thiodiphosphate
Formula	Li4 P2 S6
Calculated formula	Li4 P2 S6
Title of publication	Refinement of the crystal structure of Li<sub>4</sub>P<sub>2</sub>S<sub>6</sub> using NMR crystallography.
Authors of publication	Neuberger, Sven; Culver, Sean P; Eckert, Hellmut; Zeier, Wolfgang G; Schmedt Auf der Günne, Jörn
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Pages of publication	11691 - 11695
a	10.51452 ± 0.00006 Å
b	10.51452 ± 0.00006 Å
c	6.59148 ± 0.00008 Å
α	90°
β	90°
γ	120°
Cell volume	631.092 ± 0.009 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Ambient diffracton pressure	1 kPa
Number of distinct elements	3
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for all reflections	3.22
Goodness-of-fit parameter for all reflections	1.92
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210019 (current)	2018-08-21	cif/ Updating files of 3000203 Original log message: Releasing structure 3000203 into public domain as published material.	3000203.cif
208695	2018-06-28	cif/ Adding structures of 3000203 via cif-deposit CGI script.	3000203.cif