Crystallography Open Database

Information card for entry 4330277

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Structure parameters

Formula	Bi23.346 Cu4.654 Li4 O72 P12
Calculated formula	Bi23.346 Cu4.654 Li4 O72 P12
Title of publication	Inorganic Polar Blocks into Controlled Acentric Assemblies
Authors of publication	Diana Endara; Marie Colmont; Marielle Huvé; Frederic Capet; Julien Lejay; P. Aschehoug; Olivier Mentre
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9557 - 9562
a	11.4096 ± 0.0004 Å
b	5.4333 ± 0.0002 Å
c	25.1315 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1557.95 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P b n 21
Hall space group symbol	P 2c -2ab
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for significantly intense reflections	1.86
Goodness-of-fit parameter for all reflections included in the refinement	2.56
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181932 (current)	2016-04-07	hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/33.	4330277.cif 4330277.hkl
180708	2016-04-02	hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4330277.cif 4330277.hkl
179405	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 4/33/02.	4330277.cif 4330277.hkl
79529	2013-04-05	cif/ hkl/ Adding structures of 4330277 via cif-deposit CGI script.	4330277.cif 4330277.hkl