Crystallography Open Database

Information card for entry 4106836

Preview

Coordinates	4106836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca1.023 Ga3 Nd0.977 O7
Calculated formula	Ca1.05 Ga3 Nd0.95 O7
Title of publication	Five-Dimensional Incommensurate Structure of the Melilite Electrolyte [CaNd]2[Ga]2[Ga2O7]2
Authors of publication	Fengxia Wei; Tom Baikie; Tao An; Martin Schreyer; Christian Kloc; T. J. White
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	15200 - 15211
a	7.8868 ± 0.0004 Å
b	7.8868 ± 0.0004 Å
c	5.2243 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	324.96 ± 0.03 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0425
Goodness-of-fit parameter for significantly intense reflections	2.54
Goodness-of-fit parameter for all reflections included in the refinement	2.53
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4106836.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106836.cif
53648	2012-04-20	cif/ Adding structures of 4106836 via cif-deposit CGI script.	4106836.cif