Crystallography Open Database

Information card for entry 9014413

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Structure parameters

Mineral name	Calomel
Formula	Cl2 Hg2
Calculated formula	Cl2 Hg2
SMILES	Cl[Hg][Hg]Cl
Title of publication	Die Anordnung der Atome in den tetragonalen Kristallen der einwertigen Quecksilberhalogenide Hg2 Cl2, Hg2 Br2, Hg2 J2. Berechnung der optischen Doppelbrechung von Hg2 Cl2. _cod_database_code 1010948
Authors of publication	Hylleraas, E.
Journal of publication	Zeitschrift fur Physik
Year of publication	1926
Journal volume	36
Pages of publication	859 - 896
a	4.464 Å
b	4.464 Å
c	10.9 Å
α	90°
β	90°
γ	90°
Cell volume	217.208 Å³
Number of distinct elements	2
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Duplicate of	1010948
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	9014413.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.	9014413.cif
184280	2016-07-07	cif/9/ Marking 756 entries in range 9* as duplicates of other entries in the COD. All entries, containing '_cod_database_code' in their titles, were copied to a separate MySQL table 'duplicates' for comparison of the rest of their titles against the "original" entries. Formulae, both given by authors and calculated, were not compared, since duplicate entries in range 9* do not contain Z values. Command to compare and mark the duplicates: mysql -u root duplicates9 -p -e 'select A.file, B.file from data as A join duplicates as B on A.file = B.duplicateof and replace(replace(replace(A.title, "~", ""), " ", ""), "$-", "") = replace(B.title, " ", "") where A.duplicateof is null' -N \ \| while read -a LINE; \ do \ cat $(cod-locate ${LINE[1]}) <(echo _cod_duplicate_entry ${LINE[0]}) \ \| cif_filter -h $(cod-locate ${LINE[1]}) \ \| sponge $(cod-locate ${LINE[1]}); \ done	9014413.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.	9014413.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9014413.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9014413.cif