Crystallography Open Database

Information card for entry 9017586

Preview

Coordinates	9017586.cif
External links	AMCSD

Structure parameters

Mineral name	Kyzylkumite
Formula	Cr0.06 H O6 Ti2 V0.94
Calculated formula	Cr0.06 H O6 Ti2 V0.94
Title of publication	Kyzylkumite, Ti2V3+O5(OH): new structure type, modularity and revised formula
Authors of publication	Armbruster, T.; Lazic, B.; Reznitsky, L. Z.; Sklyarov, E. V.
Journal of publication	Mineralogical Magazine
Year of publication	2013
Journal volume	77
Pages of publication	33 - 44
a	8.4787 Å
b	4.5624 Å
c	10.033 Å
α	90°
β	93.174°
γ	90°
Cell volume	387.513 Å³
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283960 (current)	2023-05-23	cif/9/ (saulius@tasmanijos-velnias) Estimating atom types and attached hydrogen counts for all range 9 COD entries. Atom types and hydrogen counts for about 170 entries were adjusted manually after running 'cif_guess_AMCSD_atom_types'. Commiting only those entries where declared and calculated summary formulae are matching exactly. To get the reduced formula, the Z value was estimated with 'cif_estimate_Z' after atom type adjustment. NB.: some files still do not contain the Z value, since the Z that was written into the files was estimated before the atom type correction was made, not after. The Z values will be recomputed once more after the atom types are checked in.	9017586.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).	9017586.cif