Crystallography Open Database

Information card for entry 4003985

Preview

Coordinates	4003985.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	GaMo4Se8
Chemical name	GaMo4Se8
Formula	Ga Mo4 Se8
Calculated formula	Ga Mo4 Se8
Title of publication	Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8
Authors of publication	Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan
Journal of publication	Chemistry of Materials
Year of publication	2021
a	10.1654 ± 0.0006 Å
b	10.1654 ± 0.0006 Å
c	10.1654 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1050.45 ± 0.11 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	216
Hermann-Mauguin space group symbol	F -4 3 m
Hall space group symbol	F -4 2 3
Residual factor for all reflections	0.0128
Residual factor for significantly intense reflections	0.0125
Weighted residual factors for significantly intense reflections	0.0151
Weighted residual factors for all reflections included in the refinement	0.0153
Goodness-of-fit parameter for significantly intense reflections	1.15
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267301 (current)	2021-07-07	cif/ Adding structures of 4003985 via cif-deposit CGI script.	4003985.cif