Crystallography Open Database

Information card for entry 9014606

Preview

Coordinates	9014606.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Chemical name	Lithium chloride hydrate
Formula	Cl H2 Li O
Calculated formula	Cl H2 O
SMILES	[Li+].[Cl-].O
Title of publication	Das Gitter des Monohydrats des Li Cl (Li Cl + H~2~ O)
Authors of publication	Ott, H.
Journal of publication	Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie
Year of publication	1926
Journal volume	63
Pages of publication	231 - 235
a	3.83 Å
b	3.83 Å
c	3.83 Å
α	90°
β	90°
γ	90°
Cell volume	56.182 Å³
Number of distinct elements	4
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Duplicate of	1010495
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297256 (current)	2025-01-10	Corrected the '_chemical_formula_sum' data value, added the '_chemical_name_systematic' data item and updated bibliographic information in entry 9014606.	9014606.cif
292002	2024-05-23	Inserting missing Z values into entries of range 9	9014606.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.	9014606.cif
188357	2016-11-09	cif/9 Marking attached hydrogen atoms.	9014606.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	9014606.cif
176725	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9014606.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9014606.cif