Crystallography Open Database

Information card for entry 3000281

Preview

Coordinates	3000281.cif

Structure parameters

Formula	C17 H68 O68 Si34
Calculated formula	C20.44 O68 Si34
Title of publication	Bosoite, a new silica clathrate mineral from Chiba Prefecture, Japan
Authors of publication	Koichi Momma; Takuji Ikeda; Toshiro Nagase; Takahiro Kuribayashi; Chibune Honma; Katsumi Nishikubo; Naoki Takahashi; Masayuki Takada; Yoshitaka Matsushita; Ritsuro Miyawaki; Satoshi Matsubara
Journal of publication	Mineralogical Magazine
Year of publication	2020
Journal volume	84
Pages of publication	941
a	13.902 ± 0.0003 Å
b	13.902 ± 0.0003 Å
c	11.2802 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	1888 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	191
Hermann-Mauguin space group symbol	P 6/m m m
Hall space group symbol	-P 6 2
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262244 (current)	2021-02-26	cif/ Updating files of 3000281 Original log message: Releasing structure 3000281 into public domain as published material.	3000281.cif
259146	2020-11-15	cif/ Adding structures of 3000281 via cif-deposit CGI script.	3000281.cif