Crystallography Open Database

Information card for entry 9017413

Preview

Coordinates	9017413.cif
External links	AMCSD

Structure parameters

Mineral name	Vaterite
Formula	C Ca O3
Calculated formula	C Ca O3
Title of publication	The multiple structures of vaterite
Authors of publication	Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Pages of publication	2247 - 2251
a	12.358 Å
b	7.106 Å
c	25.741 Å
α	90.43°
β	99.88°
γ	90.29°
Cell volume	2226.84 Å³
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	C 1
Hall space group symbol	C 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294031 (current)	2024-08-07	Automatically deduplicating atom labels using the 'cif_fix_AMCSD_atom_labels' script from the branch of 'cod-tools' [1]. There are still 34 COD entries for which _atom_site_aniso_label values could not be fixed; these will be fixed manually in later commits. Ref.: [1] Working Copy Root Path: /home/saulius/src/cod-tools URL: svn://cod.ibt.lt/cif-tools/branches/experiment/saulius-AMCSD-fix-aniso-labels Relative URL: ^/branches/experiment/saulius-AMCSD-fix-aniso-labels Repository Root: svn://cod.ibt.lt/cif-tools Repository UUID: 04be6746-3802-0410-999d-98508da1e98c Revision: 10224 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 10224 Last Changed Date: 2024-08-07 14:09:31 +0300 (Wed, 07 Aug 2024) cod/ (saulius@tasmanijos-velnias)	9017413.cif
292100	2024-05-29	Inserting Z values into entries of range 9 that miss it	9017413.cif
282074	2023-03-27	cod/ (saulius@kukutis) Syncronising the AMCSD and the COD: depositing those AMCSD files that are genuinely new (i.e. do not have corresponding COD entries when compared using DOI, atomic coordinates, cell parameters and symmetry).	9017413.cif