Crystallography Open Database

Information card for entry 1566192

Preview

Coordinates	1566192.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	raspberry beryl
Chemical name	pezzottaite
Mineral name	pezzottaite
Formula	Al18 Be18 Cs6.57 Li9 Na1.22 O162 Si54
Calculated formula	Al18 Be18 Cs6.5718 Li9 Na1.221 O162 Si54
Title of publication	Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure
Authors of publication	Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald
Journal of publication	Journal of Solid State Chemistry
Year of publication	2021
Journal volume	293
Pages of publication	121841
a	15.943 ± 0.009 Å
b	15.943 ± 0.009 Å
c	27.81 ± 0.03 Å
α	90°
β	90°
γ	120°
Cell volume	6122 ± 8 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272352 (current)	2022-01-31	cif/ Adding structures of 1566190, 1566191, 1566192, 1566193, 1566194 via cif-deposit CGI script.	1566192.cif