Crystallography Open Database

Information card for entry 1541579

Preview

Coordinates	1541579.cif

Structure parameters

Formula	H2 O
Calculated formula	H2 O
Title of publication	X-ray diffraction study of the cubic phase of ice
Authors of publication	Shallcross, F.V.; Carpenter, G.B.
Journal of publication	Journal of Chemical Physics
Year of publication	1957
Journal volume	26
Pages of publication	782 - 784
a	6.37 Å
b	6.37 Å
c	6.37 Å
α	90°
β	90°
γ	90°
Cell volume	258.475 Å³
Number of distinct elements	2
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :1
Hall space group symbol	F 4d 2 3 -1d
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211196 (current)	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	1541579.cif
198673	2017-07-12	cif/1/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 1502971, 1503489, 1503704, 1504813, 1520164, 1520363, 1520459, 1520462, 1520466, 1529588, 1530156, 1534213, 1534272, 1534273, 1534274, 1535498, 1535538, 1535541, 1535559, 1535777, 1535785, 1535858, 1535862, 1535947, 1540772, 1540822, 1540823, 1540910, 1541006, 1541127, 1541351, 1541503, 1541579, 1546458.	1541579.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.	1541579.cif
176428	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1541579.cif
172942	2016-01-03	cif/ Adding structures of 1541579 via cif-deposit CGI script.	1541579.cif