Crystallography Open Database

Information card for entry 2312425

Preview

Coordinates	2312425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca8 O16 Si4
Calculated formula	Ca8 O16 Si4
Title of publication	Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Authors of publication	Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2024
Journal volume	80
Journal issue	Pt 2
Pages of publication	105 - 116
a	6.776 Å
b	5.496 Å
c	9.252 Å
α	90°
β	90°
γ	90°
Cell volume	344.553 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	3
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	0.0787
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for significantly intense reflections	1.77
Goodness-of-fit parameter for all reflections included in the refinement	2.03
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0197 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291106 (current)	2024-04-06	cif/ Updating files of 2312425, 2312426, 2312427, 2312428 Original log message: Adding full bibliography for 2312425--2312428.cif.	2312425.cif
290536	2024-03-19	cif/ Adding structures of 2312425, 2312426, 2312427, 2312428 via cif-deposit CGI script.	2312425.cif