Crystallography Open Database

Information card for entry 2239027

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Structure parameters

Common name	Barium polyphosphate
Chemical name	Barium <i>catena</i>-polyphosphate
Formula	Ba O6 P2
Calculated formula	Ba O6 P2
Title of publication	Redetermination of β-Ba(PO~3~)~2~
Authors of publication	Weil, Matthias
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	i7
a	4.4979 ± 0.0002 Å
b	8.3377 ± 0.0004 Å
c	13.3911 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	502.19 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0202
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0473
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181890 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90.	2239027.cif 2239027.hkl
181309	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90.	2239027.cif 2239027.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2239027.cif 2239027.hkl
104859	2014-03-11	cif/ hkl/ Adding structures of 2239027 via cif-deposit CGI script.	2239027.cif 2239027.hkl