Crystallography Open Database

Information card for entry 1517070

Preview

Coordinates	1517070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi16 O56 Ta12
Calculated formula	Bi16 O56 Ta12
Title of publication	Synthesis, structure, and photocatalysis in a new structural variant of the Aurivillius phase: LiBi4M3O14 (M = Nb, Ta).
Authors of publication	Muktha, B.; Priya, M. H.; Madras, Giridhar; Guru Row, T. N.
Journal of publication	The journal of physical chemistry. B
Year of publication	2005
Journal volume	109
Journal issue	23
Pages of publication	11442 - 11449
a	13.016 ± 0.002 Å
b	7.5832 ± 0.0014 Å
c	12.226 ± 0.002 Å
α	90°
β	101.477 ± 0.003°
γ	90°
Cell volume	1182.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.196
Weighted residual factors for all reflections included in the refinement	0.2
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
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.	1517070.cif
119979	2014-07-10	cif/ Adding structures of 1517070 via cif-deposit CGI script.	1517070.cif