Crystallography Open Database

Information card for entry 1561848

Preview

Coordinates	1561848.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	neodymium copper gallium selenide (3/1/1/7)
Chemical name	neodymium copper gallium selenide (3/1/1/7)
Formula	Cu Ga Nd3 Se7
Calculated formula	Cu Ga Nd3 Se7
Title of publication	Noncentrosymmetric rare-earth copper gallium chalcogenides RE3CuGaCh7 (RE=La‒Nd; Ch=S, Se): An unexpected combination
Authors of publication	Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	229
Pages of publication	150 - 159
a	10.3426 ± 0.0009 Å
b	10.3426 ± 0.0009 Å
c	6.3869 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	591.67 ± 0.09 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	0.0358
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
264238 (current)	2021-04-16	cif/ Adding structures of 1561845, 1561846, 1561847, 1561848 via cif-deposit CGI script.	1561848.cif