Crystallography Open Database

Information card for entry 1563156

Preview

Coordinates	1563156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2 O8 Si2 Sr
Calculated formula	Al2 O8 Si2 Sr
Title of publication	Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression
Authors of publication	Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2021
Journal volume	125
Journal issue	23
Pages of publication	13014 - 13023
a	8.8562 ± 0.0003 Å
b	8.672 ± 0.003 Å
c	6.6496 ± 0.0005 Å
α	90°
β	90.452 ± 0.004°
γ	90°
Cell volume	510.68 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.1933
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.41106 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266973 (current)	2021-07-04	cif/ Updating files of 1563145, 1563146, 1563147, 1563148, 1563149, 1563150, 1563151, 1563152, 1563153, 1563154, 1563155, 1563156 Original log message: Adding full bibliography for 1563145--1563156.cif.	1563156.cif
265794	2021-06-05	cif/ Adding structures of 1563156 via cif-deposit CGI script.	1563156.cif