Crystallography Open Database

Information card for entry 3000295

Preview

Coordinates	3000295.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Silver chromium diphosphorus hexasulfide
Chemical name	Silver chromium diphosphorus hexasulfide
Formula	Ag Cr P2 S6
Calculated formula	Ag Cr P2 S6
Title of publication	Crystal Growth of the Quasi-2D Quarternary Compound Ag Cr P2 S6 by Chemical Vapor Transport
Authors of publication	Selter, Sebastian; Shemerliuk, Yuliia; Buechner, Bernd; Aswartham, Saicharan
Journal of publication	Crystals
Year of publication	2021
Journal volume	11
Pages of publication	500
a	5.88318 ± 0.00013 Å
b	10.6214 ± 0.0002 Å
c	6.745 ± 0.0003 Å
α	90°
β	106.043 ± 0.0019°
γ	90°
Cell volume	405.07 ± 0.02 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/a 1
Hall space group symbol	-P 2ya
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for all reflections	0.0569
Weighted residual factors for significantly intense reflections	0.0567
Goodness-of-fit parameter for all reflections	2.13
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54059 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
265070 (current)	2021-05-10	cif/ Updating files of 3000295 Original log message: Releasing structure 3000295 into public domain as published material.	3000295.cif
263369	2021-03-26	cif/ Adding structures of 3000295 via cif-deposit CGI script.	3000295.cif