Crystallography Open Database

Information card for entry 3000313

Preview

Coordinates	3000313.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	yttrium calcium oxoborate
Formula	B3 Ca4 O10 Y
Calculated formula	B3 Ca4.0018 O10 Y0.9982
Title of publication	Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)
Authors of publication	Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut
Journal of publication	Journal of Applied Physics
Year of publication	2021
Journal volume	130
Journal issue	9
Pages of publication	095102
a	8.0737 ± 0.0002 Å
b	16.0088 ± 0.0005 Å
c	3.52827 ± 0.00011 Å
α	90°
β	101.166 ± 0.003°
γ	90°
Cell volume	447.4 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
269031 (current)	2021-09-07	cif/ Updating files of 3000313 Original log message: Releasing structure 3000313 into public domain as published material.	3000313.cif
266783	2021-06-29	cif/ Adding structures of 3000313 via cif-deposit CGI script.	3000313.cif