Crystallography Open Database

Information card for entry 1010836

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Coordinates	1010836.cif

Structure parameters

Chemical name	Calcium iodide
Formula	Ca I2
Calculated formula	Ca I2
SMILES	[Ca+2].[I-].[I-]
Title of publication	Die Kristallstruktur des wasserfreien Magnesiumjodids und Calciumjodids.
Authors of publication	Blum, H
Journal of publication	Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie
Year of publication	1933
Journal volume	22
Pages of publication	298 - 304
a	4.48 ± 0.02 Å
b	4.48 ± 0.02 Å
c	6.96 ± 0.03 Å
α	90°
β	90°
γ	120°
Cell volume	121 Å³
Number of distinct elements	2
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209441 (current)	2018-08-07	cif/1/01/ Adding the _citation_author_ordinal data item in entries 1010549, 1010836.	1010836.cif
176758	2016-02-19	cif/1/01/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_citation_special_details tag with the _cod_citation_special_details tag in entry 1010836.	1010836.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1010836.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1010836.cif
32122	2012-02-08	cif/1/ Adding _cod_depositor_comments text with the citation of the Ren\'e Boer\'e e-mail that explains how coordinates for entry 1010836 were obtained.	1010836.cif
32120	2012-02-06	cif/1/ Updating source data URLs in 1/1010836.cif.	1010836.cif
32119	2012-02-06	cif/ Adding coordinates to entry 1010836.cif, supplied by Dr. Rene T. Boere in his 2012-02-06 00:04 e-mail.	1010836.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	1010836.cif
904	2009-11-23	cif/ Adding a loop with _atom_site_label and _atom_site_fract_{x,y,z} tags, adn with "?" as their values, to all COD CIFs that lacked atomic coodrinates: find ? -name \*.cif \ \| xargs -n1 -iX \ bash -c 'if [ $(cif_filter X \| wc -l) -eq 0 ]; \ then \ echo -e "loop_\n_atom_site_label\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n? \ ? ? ?" >> X; \ ( set -x; vcif -l 2048 X ); \ fi' This "cosmetic" change makes it easier to process COD CIFs with scripts that pick only datablocks with atomic coordinates for processing (such as cif_fitler).	1010836.cif
720	2009-05-13	cod/cif/: Adding loop_ token in front of the _publ_author_name tag in all COD entries where _publ_author_name was not in a loop (this tag is loop-mandatory).	1010836.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	1010836.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1010836.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	1010836.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	1010836.cif