Crystallography Open Database

Information card for entry 4331458

Preview

Coordinates	4331458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca1.033 Ga3 La0.967 O7
Calculated formula	Ca1.0672 Ga3 La0.9328 O7
Title of publication	Crystal Chemistry of Melilite [CaLa]2[Ga]2[Ga2O7]2: a Five Dimensional Solid Electrolyte
Authors of publication	Fengxia Wei; Tom Baikie; Tao An; Christian Kloc; Jun Wei; Tim J. White
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5941 - 5949
a	7.9386 ± 0.0002 Å
b	7.9386 ± 0.0002 Å
c	5.2641 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	331.75 ± 0.02 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P-42_1m(a,a,0)00s(-a,a,0)000
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for significantly intense reflections	3.7
Goodness-of-fit parameter for all reflections included in the refinement	3.7
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179417 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/14.	4331458.cif
176724	2016-02-18	cif/4/33/ (antanas@echidna.ibt.lt) Setting svn:keywords property for entries 4331457-4331463.	4331458.cif
85316	2013-05-07	Committing two modulated structures. Seeing if it works.	4331458.cif