Crystallography Open Database

Information card for entry 9014043

Preview

Coordinates	9014043.cif
External links	AMCSD

Structure parameters

Mineral name	Calclacite
Formula	C2 H10 Ca Cl O7
Calculated formula	C2 H10 Ca Cl O7
Title of publication	La struttura cristallina della calclacite
Authors of publication	Giuseppetti, G.; Tadini, C.; Ungaretti, L.
Journal of publication	Periodico di Mineralogia
Year of publication	1970
Journal volume	39
Pages of publication	145 - 158
a	6.82 Å
b	13.72 Å
c	11.51 Å
α	90°
β	116.7°
γ	90°
Cell volume	962.157 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.	9014043.cif
201816	2017-10-06	cod/ Enhancement: marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop.	9014043.cif
176465	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9014043.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9014043.cif