Crystallography Open Database

Information card for entry 9015270

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Structure parameters

Formula	C S2
Calculated formula	C S2
SMILES	[C+4].[S-2].[S-2]
Title of publication	Mathematical Modeling of the structures and bulk moduli of TX2 quartz and cristobalite structure types, T = C, Si, Ge and X = O, S
Authors of publication	Gibbs, G. V.; Boisen, M. B.; Downs, R. T.; Lasaga, A. C.
Journal of publication	Materials Research Society Symposia Proceedings
Year of publication	1988
Journal volume	121
Pages of publication	155 - 165
a	5.232 Å
b	5.232 Å
c	5.307 Å
α	90°
β	90°
γ	120°
Cell volume	125.81 Å³
Number of distinct elements	2
Hermann-Mauguin space group symbol	P 32 2 1
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292002 (current)	2024-05-23	Inserting missing Z values into entries of range 9	9015270.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.	9015270.cif
176269	2016-02-08	cif/9/01/ Marking structures from Gibbs et al. publication "Mathematical Modeling of the structures and bulk moduli of TX2 quartz and cristobalite structure types, T = C, Si, Ge and X = O, S" as theoretical, since values of tag _chemical_compound_source state so.	9015270.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9015270.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9015270.cif