Crystallography Open Database

Information card for entry 7204373

7204372 << 7204373 >> 7204374

Preview

Coordinates	7204373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 F Nb O9 P2
Calculated formula	Ba2 F Nb O9 P2
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	7.057 ± 0.0007 Å
b	7.1618 ± 0.0008 Å
c	9.0246 ± 0.0009 Å
α	90°
β	91.087 ± 0.002°
γ	90°
Cell volume	456.03 ± 0.08 Å³
Cell temperature	496 ± 2 K
Ambient diffraction temperature	496 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.019
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0441
Goodness-of-fit parameter for all reflections included in the refinement	1.224
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7204373.cif
180374	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/43.	7204373.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204373.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204373.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/.	7204373.cif