Crystallography Open Database

Information card for entry 4320316

4320315 << 4320316 >> 4320317

Preview

Coordinates	4320316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Cu Gd Se3
Calculated formula	Ba Cu Gd Se3
Title of publication	New Layered Materials: Syntheses, Structures, and Optical and Magnetic Properties of CsGdZnSe3, CsZrCuSe3, CsUCuSe3, and BaGdCuSe3
Authors of publication	Fu Qiang Huang; Kwasi Mitchell; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5123 - 5126
a	4.1839 ± 0.0006 Å
b	13.8935 ± 0.0019 Å
c	10.6692 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	620.19 ± 0.15 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0241
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	0.881
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
179306 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03.	4320316.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320316.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320316.cif
17220	2011-04-05	../uploads/cif-deposit/cod/cif Adding structures of 4320316 via cif-deposit CGI script.	4320316.cif