Crystallography Open Database

Information card for entry 2018526

2018525 << 2018526 >> 2018527

Preview

Coordinates	2018526.cif
Structure factors	2018526.hkl
Original IUCr paper	HTML
External links	AMCSD

Structure parameters

Common name	Volborthite
Chemical name	tricopper(II) divanadium(V) heptaoxide dihydroxide dihydrate
Formula	Cu3 H6 O11 V2
Calculated formula	Cu3 H2 O11 V2
Title of publication	A novel crystal polymorph of volborthite, Cu~3~V~2~O~7~(OH)~2~·2H~2~O
Authors of publication	Ishikawa, Hajime; Yamaura, Jun-ichi; Okamoto, Yoshihiko; Yoshida, Hiroyuki; Nilsen, Gøran J.; Hiroi, Zenji
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	7
Pages of publication	i41 - i44
a	10.6118 ± 0.0004 Å
b	5.8708 ± 0.0002 Å
c	14.4181 ± 0.0006 Å
α	90°
β	95.029 ± 0.001°
γ	90°
Cell volume	894.79 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.46
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
287555 (current)	2023-11-12	cod/ (saulius@tasmanijos-velnias) Linking AMCSD entries to those COD records that had identical cell parameters, formula and bibliography, and identical atomic coordinates after determining atom types in AMCSD records using the 'cif_guess_AMCSD_atom_types' script from the r9700 of the ^/trunk in 'cod-tools' package repository [1]. Some COD entries matched several AMCSD entries; for those multiple related AMCSD entries were noted using the COD_RELATDE_ENTRY category, and multiple mineral names were inserted using the '_[local]_alternative_name_[]' datanames in a loop. Ref.: [1] Working Copy Root Path: /home/saulius/src/cod-tools URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/cod-tools/trunk Relative URL: ^/trunk Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/cod-tools Repository UUID: 04be6746-3802-0410-999d-98508da1e98c Revision: 9701 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 9701 Last Changed Date: 2023-11-12 11:14:50 +0200 (Sun, 12 Nov 2023)	2018526.cif 2018526.hkl
180854	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/85.	2018526.cif 2018526.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018526.cif 2018526.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018526.cif 2018526.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2018526.cif 2018526.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2018526.cif 2018526.hkl
63864	2012-08-10	cif/ Adding structures of 2018526 via cif-deposit CGI script.	2018526.cif