Crystallography Open Database

Information card for entry 2300459

Preview

Coordinates	2300459.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barium molybdate
Formula	Ba Mo O4
Calculated formula	Ba Mo O4
SMILES	[Ba+2].[Mo](=O)(=O)([O-])[O-]
Title of publication	Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals
Authors of publication	Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E.
Journal of publication	Journal of Applied Crystallography
Year of publication	2013
Journal volume	46
Journal issue	5
Pages of publication	1434 - 1446
a	5.584828 ± 0.000021 Å
b	5.584828 Å
c	12.82922 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	400.147 ± 0.003 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.092
RFsqd	0.04185
Goodness-of-fit parameter for all reflections	1.66
Goodness-of-fit parameter for all reflections included in the refinement	1.4
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5405 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264551 (current)	2021-04-26	cif/2/30/04/ Removed the _chemical_name_systematic data item from entries 2300457-2300460 since it had incorrect values.	2300459.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2300459.cif
114660	2014-05-29	cif/ Adding structures of 2300459 via cif-deposit CGI script.	2300459.cif