Crystallography Open Database

Information card for entry 2312751

Preview

Coordinates	2312751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe0.16 Li0.16 Mg0.69 O3 Si
Calculated formula	Fe0.15675 Li0.15675 Mg0.6865 O3 Si
Title of publication	Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Authors of publication	Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2025
Journal volume	81
Journal issue	1
a	18.1718 ± 0.0004 Å
b	8.7706 ± 0.0002 Å
c	5.1992 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	828.64 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0212
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0399
Weighted residual factors for all reflections included in the refinement	0.0406
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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
297534 (current)	2025-01-30	cif/ Adding structures of 2312749, 2312750, 2312751, 2312752, 2312753 via cif-deposit CGI script.	2312751.cif