Crystallography Open Database

Information card for entry 9015458

Preview

Coordinates	9015458.cif
External links	AMCSD

Structure parameters

Formula	P
Calculated formula	P
Title of publication	Crystal Structure of Phosphorus Pentachloride _cod_database_code 1010411
Authors of publication	Powell, H.; Clark, D.; Wells, A.
Journal of publication	Nature
Year of publication	1940
Journal volume	145
Pages of publication	149 - 149
a	9.2 Å
b	9.2 Å
c	7.4 Å
α	90°
β	90°
γ	90°
Cell volume	626.336 Å³
Number of distinct elements	1
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :1
Hall space group symbol	P 4ab -1ab
Duplicate of	1010411
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	9015458.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.	9015458.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	9015458.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.	9015458.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9015458.cif