Crystallography Open Database

Information card for entry 1566191

Preview

Coordinates	1566191.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	raspberry beryl
Chemical name	pezzottaite
Formula	Al18 Be18 Cs6.45 Li9 Na1.2 O162 Si54
Calculated formula	Al18 Be18 Cs6.453 Li9 Na1.203 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	15.948 ± 0.008 Å
b	15.948 ± 0.008 Å
c	27.81 ± 0.02 Å
α	90°
β	90°
γ	120°
Cell volume	6126 ± 6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0313
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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.	1566191.cif