Crystallography Open Database

Information card for entry 1001511

Preview

Coordinates	1001511.cif
External links	AMCSD

Structure parameters

Chemical name	Barium nickel diphosphate
Formula	Ba Ni O7 P2
Calculated formula	Ba Ni O7 P2
Title of publication	BaNiP~2~O~7~, a triclinic diphosphate with a modulated structure ofthe displacive type
Authors of publication	Riou, D; Leligny, H; Pham, C; Labbe, P; Raveau, B
Journal of publication	Acta Crystallographica B (39,1983-)
Year of publication	1991
Journal volume	47
Pages of publication	608 - 617
a	5.317 ± 0.002 Å
b	7.58 ± 0.004 Å
c	7.116 ± 0.002 Å
α	101.26 ± 0.02°
β	84.48 ± 0.03°
γ	89.49 ± 0.03°
Cell volume	279.9 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.054
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1001511.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1001511.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	1001511.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	1001511.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1001511.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	1001511.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	1001511.cif