Crystallography Open Database

Information card for entry 4001772

Preview

Coordinates	4001772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al6 Ca4 O16 S
Calculated formula	Al6 Ca4 O16 S
Title of publication	Structure, Atomistic Simulations, and Phase Transition of Stoichiometric Yeelimite
Authors of publication	Cuesta, Ana; De la Torre, Angeles G.; Losilla, Enrique R.; Peterson, Vanessa K.; Rejmak, Pawel; Ayuela, Andrés; Frontera, Carlos; Aranda, Miguel A. G.
Journal of publication	Chemistry of Materials
Year of publication	2013
Journal volume	25
Journal issue	9
Pages of publication	1680
a	13.0357 ± 0.0007 Å
b	13.035 ± 0.0007 Å
c	9.16771 ± 0.00019 Å
α	90°
β	90°
γ	90°
Cell volume	1557.78 ± 0.12 Å³
Cell temperature	298 K
Number of distinct elements	4
Space group number	27
Hermann-Mauguin space group symbol	P c c 2
Hall space group symbol	P 2 -2c
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
250899 (current)	2020-04-17	cif/4/00/17/ Changed the '_cod_related_entry' data name to '_cod_related_entry_code' in entry 4001772.	4001772.cif
209485	2018-08-08	cif/4/00/17/ Adding the missing _cod_related_entry_id data item in entry 4001772.	4001772.cif
178377	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001772.cif
87320	2013-07-15	cif/4/00/17/ (saulius@koala.ibt.lt) Adding references to related TCOD entries to '4001772.cif'.	4001772.cif
87149	2013-07-14	cif/ Adding structures of 4001772 via cif-deposit CGI script.	4001772.cif