Crystallography Open Database

Information card for entry 2020133

2020132 << 2020133 >> 2020134

Preview

Coordinates	2020133.cif
External links	PubChem

Structure parameters

Chemical name	Ca S O4 (H2 O).8
Formula	Ca H1.6 O4.8 S
Calculated formula	Ca H1.6 O4.8 S
SMILES	[Ca][OH2].S(=O)(=O)([O-])[O-]
Title of publication	Calcium Sulfat Subhydrat, Ca S O4 (H2 O).8
Authors of publication	Abriel, W.
Journal of publication	Acta Crystallographica C (39,1983-)
Year of publication	1983
Journal volume	39
Pages of publication	956 - 958
a	6.968 Å
b	6.968 Å
c	6.41 Å
α	90°
β	90°
γ	120°
Cell volume	269.529 Å³
Number of distinct elements	4
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301801 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure.	2020133.cif
194538	2017-03-27	cif/ (antanas@kurmis) Marking attached hydrogen atoms in entries 2000249, 2000272, 2000700, 2000859, 2000860, 2001068, 2001182, 2005497, 2006186, 2006499, 2006795, 2007335, 2009895, 2009997, 2010189, 2010462, 2010463, 2011359, 2012799, 2013158, 2014024, 2015681, 2016172, 2020133, 2020169, 2020170, 2020234, 2100035, 2100877, 2101761, 2103178, 2104511, 2105433, 2106054, 2106222, 2106501, 2106753, 2106856, 2107017, 2200258, 2200845, 2201708, 2201849, 2202298, 2207699, 2208136, 2212179, 2215257, 2217316, 2217868, 2239331, 2300000, 2310439.	2020133.cif
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	2020133.cif
161174	2015-10-09	cif/ Adding structures of 2020133 via cif-deposit CGI script.	2020133.cif