Crystallography Open Database

Information card for entry 2023398

2023397 << 2023398 >> 2023399

Preview

Coordinates	2023398.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	6.6679 ± 0.0016 Å
b	6.6679 ± 0.0016 Å
c	9.43 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	419.27 ± 0.17 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	3
Space group number	74
Hermann-Mauguin space group symbol	I b m m
Hall space group symbol	-I 2c 2c
Residual factor for all reflections	0.1265
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.4
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
297647 (current)	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.	2023398.cif