Crystallography Open Database

Information card for entry 3000308

Preview

Coordinates	3000308.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	erbium calcium oxoborate
Formula	B3 Ca4 Er O10
Calculated formula	B3 Ca4.0002 Er0.9998 O10
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	8.05839 ± 0.00019 Å
b	15.9814 ± 0.0003 Å
c	3.51846 ± 0.00014 Å
α	90°
β	101.115 ± 0.003°
γ	90°
Cell volume	444.62 ± 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	0.0178
Residual factor for significantly intense reflections	0.0177
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0426
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
269025 (current)	2021-09-07	cif/ Updating files of 3000308 Original log message: Releasing structure 3000308 into public domain as published material.	3000308.cif
266778	2021-06-29	cif/ Adding structures of 3000308 via cif-deposit CGI script.	3000308.cif