Crystallography Open Database

Information card for entry 2310758

Preview

Coordinates	2310758.cif
Original paper (by DOI)	HTML

Structure parameters

Mineral name	wagnerite
Formula	F Fe0.649 Mg1.351 O4 P
Calculated formula	F Fe0.6309 Mg1.3691 O4 P
Title of publication	Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Authors of publication	Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Journal of publication	Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	243 - 258
a	12.884 ± 0.0002 Å
b	6.3889 ± 0.0001 Å
c	9.7384 ± 0.0001 Å
α	90°
β	117.799 ± 0.001°
γ	90°
Cell volume	709.098 ± 0.018 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
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	0.0243
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for significantly intense reflections	2.15
Goodness-of-fit parameter for all reflections included in the refinement	2.06
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
201408 (current)	2017-09-28	cif/2/31/07/ Updating bibliography in entries 2310756-2310761.	2310758.cif
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	2310758.cif
160949	2015-10-07	cif/ Adding structures of 2310756, 2310757, 2310758, 2310759, 2310760, 2310761 via cif-deposit CGI script.	2310758.cif