Crystallography Open Database

Information card for entry 7231631

Preview

Coordinates	7231631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H4 Na2 O13 Si4 Sn
Calculated formula	H4 Na2 O13 Si4 Sn
Title of publication	Prediction of piezoelectric properties by first principles calculations and hydrothermal crystal growth of Si1−xSnxO2 α-quartz phase
Authors of publication	Clavier, D.; Hermet, P.; Van der Lee, A.; Haines, J.; Cambon, O.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	46
Pages of publication	7479
a	8.7892 ± 0.0003 Å
b	7.4533 ± 0.0002 Å
c	16.4801 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1079.59 ± 0.05 Å³
Cell temperature	175 K
Ambient diffraction temperature	175 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for all reflections	0.0667
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	0.8506
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
229024 (current)	2019-11-17	cif/ Updating files of 7231631 Original log message: Adding full bibliography for 7231631.cif.	7231631.cif
211429	2018-10-13	cif/ Adding structures of 7231631 via cif-deposit CGI script.	7231631.cif