Crystallography Open Database

Information card for entry 1508970

Preview

Coordinates	1508970.cif
Original paper (by DOI)	HTML

Structure parameters

Mineral name	Vaterite
Formula	C1.5 Ca1.5 O4.5
Calculated formula	C1.5 Ca1.5 O4.5
Title of publication	Ab Initio Structure Determination of Vaterite by Automated Electron Diffraction
Authors of publication	Mugnaioli, E.; Andrusenko, I.; Schüler, T.; Loges, N.; Panthöfer, M.; Dinnebier, R. E.; Tremel, W.; Kolb, U.
Journal of publication	Angewandte Chemie International Edition
Year of publication	2012
Journal volume	51
Journal issue	28
Pages of publication	7041 - 7045
a	12.17 Å
b	7.12 Å
c	9.47 Å
α	90°
β	118.37°
γ	90°
Cell volume	722.026 Å³
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.387
Residual factor for significantly intense reflections	0.3761
Weighted residual factors for significantly intense reflections	0.6852
Weighted residual factors for all reflections included in the refinement	0.7024
Goodness-of-fit parameter for all reflections included in the refinement	3.715
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0197 Å
Diffraction radiation type	electrons
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1508970.cif
106542	2014-03-15	cod/ (saulius@kolibris) Manually fixing _diffrn_radiation_probe for 13 COD CIFs.	1508970.cif
77796	2013-03-29	cif/1/50/ (saulius@koala.ibt.lt) Updating bibliography and mineral name in entries 1508970.cif and 1508971.cif.	1508970.cif
77580	2013-03-28	cif/ Adding structures of 1508970 via cif-deposit CGI script.	1508970.cif