Crystallography Open Database

Information card for entry 7204374

7204373 << 7204374 >> 7204375

Preview

Coordinates	7204374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 F H14 Nb3 O30 P5
Calculated formula	Ba2.9844 F Nb3 O29.434 P5.002
Title of publication	Hydrothermal synthesis and structures of the novel niobium phosphates Ba2[NbOF(PO4)2] and Ba3[Nb3O3F(PO4)4(HPO4)](H2O)7
Authors of publication	Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.
Journal of publication	Journal of Materials Chemistry
Year of publication	2002
Journal volume	12
Journal issue	6
Pages of publication	1824
a	9.4824 ± 0.0006 Å
b	15.0067 ± 0.0009 Å
c	18.4897 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2631.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7204374.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204374.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204374.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204374.cif