Crystallography Open Database

Information card for entry 1512557

Preview

Coordinates	1512557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2.5 B0.5 O4.5
Calculated formula	Al2.5 B0.5 O4.5
Title of publication	Single-crystal diffraction at the Extreme Conditions beamline P02.2: procedure for collecting and analyzing high-pressure single-crystal data
Authors of publication	Rothkirch, André; Gatta, G. Diego; Meyer, Mathias; Merkel, Sébastien; Merlini, Marco; Liermann, Hanns-Peter
Journal of publication	Journal of Synchrotron Radiation
Year of publication	2013
Journal volume	20
Journal issue	5
Pages of publication	711 - 720
a	5.5494 ± 0.0015 Å
b	14.35 ± 0.006 Å
c	7.481 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	595.7 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.26
Diffraction radiation wavelength	0.28988 Å
Diffraction radiation type	X-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512557.cif
89559	2013-11-06	cif/ Adding structures of 1512557 via cif-deposit CGI script.	1512557.cif