Crystallography Open Database

Information card for entry 1000072

Preview

Coordinates	1000072.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Chemical name	Oxovanadium(IV) hydrogenphosphate dihydrate - $+beta
Formula	H5 O7 P V
Calculated formula	H5 O7 P V
Title of publication	Crystal Structure of $+beta-V O (H P O~4~) (H~2~ O)2 Solved from X-Ray Powder Diffraction
Authors of publication	Le Bail, A; Ferey, G; Amoros, P; Beltran Porter, D; Villeneuve, G
Journal of publication	Journal of Solid State Chemistry
Year of publication	1989
Journal volume	79
Pages of publication	169 - 176
a	5.659 ± 0.002 Å
b	7.578 ± 0.004 Å
c	12.623 ± 0.005 Å
α	89.66 ± 0.02°
β	102.14 ± 0.02°
γ	92.23 ± 0.02°
Cell volume	528.8 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	0.0764
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.	1000072.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1000072.cif
91022	2013-11-26	cod/ (agne@lokys) Deleting dummy hydrogen sites from those COD entries where this operation lead to the correspondence of the calculated and declared summary chemical formulae.	1000072.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1000072.cif
1063	2010-03-31	cif/ Fixing all author names that had '=' instead of ' ' (space sign): grep '^[0-9]' author-names-with-=.lst\| awk '{print "../"substr($1,0,1)"/"$1".cif"}'\| xargs -i sh -xc " perl -i -pe 's/=/ /g if /_publ_author_name/.../^_/' {}" and restoring journal names manualy afterwards.	1000072.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.	1000072.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/'	1000072.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1000072.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.	1000072.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)	1000072.cif