Crystallography Open Database

Information card for entry 1560470

Preview

Coordinates	1560470.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	neodymium nickel germanium sulfide (3/0.5/1/7)
Chemical name	neodymium nickel germanium sulfide (3/0.5/1/7)
Formula	Ge Nd3 Ni0.5 S7
Calculated formula	Ge Nd3 Ni0.5 S7
Title of publication	Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7
Authors of publication	Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	250
Pages of publication	14 - 23
a	10.076 ± 0.0003 Å
b	10.076 ± 0.0003 Å
c	5.7605 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	506.49 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0131
Residual factor for significantly intense reflections	0.0129
Weighted residual factors for significantly intense reflections	0.0298
Weighted residual factors for all reflections included in the refinement	0.0299
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262065 (current)	2021-02-18	cif/ Adding structures of 1560470 via cif-deposit CGI script.	1560470.cif