Crystallography Open Database

Information card for entry 3000311

Preview

Coordinates	3000311.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	neodymium calcium oxoborate
Formula	B3 Ca4 Nd O10
Calculated formula	B3 Ca4.0008 Nd0.9992 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	8.11934 ± 0.00017 Å
b	16.043 ± 0.0004 Å
c	3.59765 ± 0.00011 Å
α	90°
β	101.378 ± 0.002°
γ	90°
Cell volume	459.41 ± 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	0.0201
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0433
Weighted residual factors for all reflections included in the refinement	0.0433
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
269029 (current)	2021-09-07	cif/ Updating files of 3000311 Original log message: Releasing structure 3000311 into public domain as published material.	3000311.cif
266781	2021-06-29	cif/ Adding structures of 3000311 via cif-deposit CGI script.	3000311.cif