Crystallography Open Database

Information card for entry 9015966

Preview

Coordinates	9015966.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Formula	Al2 Ca3 O6
Calculated formula	Al2 Ca3 O6
Title of publication	The crystal structure of tricalcium aluminate, Ca3Al2O6
Authors of publication	Mondal, P.; Jeffery, J. W,
Journal of publication	Acta Crystallographica, Section B
Year of publication	1975
Journal volume	31
Journal issue	3
Pages of publication	689 - 697
a	15.263 Å
b	15.263 Å
c	15.263 Å
α	90°
β	90°
γ	90°
Cell volume	3555.66 Å³
Number of distinct elements	3
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Duplicate of	1000039
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	9015966.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.	9015966.cif
188425	2016-11-14	cif/9/01 Updating bibliography for multiple entries in range 9/01.	9015966.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	9015966.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.	9015966.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9015966.cif