Crystallography Open Database

Information card for entry 9015021

Preview

Coordinates	9015021.cif
External links	AMCSD

Structure parameters

Formula	Br Cl H4 I N
Calculated formula	Br Cl H4 I N
Title of publication	The crystal structure of Ammonium chlorobromoiodide _cod_database_code 1010632
Authors of publication	Mooney, R.
Journal of publication	Bulletin of the American Physical Society
Year of publication	1935
Journal volume	10
Pages of publication	30 - 30
a	6.14 Å
b	8.58 Å
c	10.03 Å
α	90°
β	90°
γ	90°
Cell volume	528.392 Å³
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P m c n
Hall space group symbol	-P 2n 2a
Duplicate of	1010632
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296821 (current)	2024-12-10	Added the '_atom_site_type_symbol' data item and updated the '_chemical_formula_sum' data value to include the attached hydrogen atoms.	9015021.cif
292002	2024-05-23	Inserting missing Z values into entries of range 9	9015021.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.	9015021.cif
188008	2016-11-07	cif/9/01 Marking attached hydrogen atoms for N, O and S atoms.	9015021.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	9015021.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.	9015021.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9015021.cif