Crystallography Open Database

Information card for entry 9016641

Preview

Coordinates	9016641.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Formula	Br3 Nd O18
Calculated formula	Br3 H18 Nd O18
Title of publication	The Crystal Structure of Neodymium Enneahydrate, Nd (Br O3)3 (H2 O)9 _cod_database_code 1010204
Authors of publication	Helmholz, L.
Journal of publication	Journal of the American Chemical Society
Year of publication	1939
Journal volume	61
Pages of publication	1544 - 1550
a	11.73 Å
b	11.73 Å
c	6.76 Å
α	90°
β	90°
γ	120°
Cell volume	805.514 Å³
Number of distinct elements	3
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Duplicate of	1010204
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292100 (current)	2024-05-29	Inserting Z values into entries of range 9 that miss it	9016641.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.	9016641.cif
188357	2016-11-09	cif/9 Marking attached hydrogen atoms.	9016641.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	9016641.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.	9016641.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9016641.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016641.cif