Crystallography Open Database

Information card for entry 2023392

2023391 << 2023392 >> 2023393

Preview

Coordinates	2023392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca3 O Si
Calculated formula	Ca3 O Si
Title of publication	Tilting structures ininverseperovskites,M3TtO (M= Ca, Sr, Ba, Eu;Tt= Si, Ge, Sn, Pb)
Authors of publication	Nuss, Jürgen; Mühle, Claus; Hayama, Kyouhei; Abdolazimi, Vahideh; Takagi, Hidenori
Journal of publication	Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
Year of publication	2015
Journal volume	71
Journal issue	3
Pages of publication	300 - 312
a	6.66 ± 0.002 Å
b	6.646 ± 0.002 Å
c	9.411 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	416.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P b n m
Hall space group symbol	-P 2c 2ab
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1853
Weighted residual factors for all reflections included in the refinement	0.1957
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
297656 (current)	2025-02-09	cif/ hkl/ Updating files of 2023392 Original log message: Adding Fobs data.	2023392.cif
297647	2025-02-09	cif/ hkl/ Adding structures of 2023383, 2023384, 2023385, 2023386, 2023387, 2023388, 2023389, 2023390, 2023391, 2023392, 2023393, 2023394, 2023395, 2023396, 2023397, 2023398, 2023399 via cif-deposit CGI script.	2023392.cif