Crystallography Open Database

Information card for entry 1559801

Preview

Coordinates	1559801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al0.17 Ca0.18 F0.08 Fe5.4 H1.92 Mg1.25 O23.92 Si8
Calculated formula	Al0.173 Ca0.184 F0.08 Fe5.399 H1.92 Mg1.244 O23.92 Si8
Title of publication	Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction
Authors of publication	Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F.
Journal of publication	IUCrJ
Year of publication	2021
Journal volume	8
Journal issue	1
Pages of publication	76 - 86
a	9.54396 ± 0.0002 Å
b	18.2455 ± 0.0004 Å
c	5.3266 ± 0.00012 Å
α	90°
β	101.883 ± 0.002°
γ	90°
Cell volume	907.67 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.157
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.296
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.30909 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261805 (current)	2021-02-05	cif/ Updating files of 1559801, 1559802, 1559803 Original log message: Adding full bibliography for 1559801--1559803.cif.	1559801.cif
259929	2020-12-16	cif/ Adding structures of 1559801, 1559802, 1559803 via cif-deposit CGI script.	1559801.cif