Crystallography Open Database

Information card for entry 8103063

Preview

Coordinates	8103063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca2 F Na O4 Si
Calculated formula	Ca2 F Na O4 Si
Title of publication	Ca2NaSiO4F: a new monoclinic polymorph
Authors of publication	Krüger, Hannes; Kahlenberg, Volker
Journal of publication	Zeitschrift für Kristallographie - Crystalline Materials
Year of publication	2008
Journal volume	223
Journal issue	6
Pages of publication	382 - 388
a	5.3388 ± 0.0004 Å
b	7.1542 ± 0.0007 Å
c	12.4116 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	474.06 ± 0.07 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0282
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.0329
Goodness-of-fit parameter for significantly intense reflections	2.51
Goodness-of-fit parameter for all reflections included in the refinement	2.47
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8103063.cif
100881	2014-02-08	cif/8/10/ (antanas@lokys.ibt.lt) Adding _journal_paper_doi and changing journal name to a more specific one.	8103063.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103063.cif
22796	2011-07-21	../uploads/cif-deposit/cod/cif Adding structures of 8103063 via cif-deposit CGI script.	8103063.cif