Crystallography Open Database

Information card for entry 1545793

Preview

Coordinates	1545793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B30 Nd5 O60 Rb15
Calculated formula	B30 Nd5 O60 Rb15
Title of publication	Exploration of structural, thermal, vibrational and spectroscopic properties of new noncentrosymmetric double borate Rb3NdB6O12
Authors of publication	V.V. Atuchin; A.K. Subanakov; A.S. Aleksandrovsky; B.G. Bazarov; J.G. Bazarova; S.G. Dorzhieva; T.A. Gavrilova; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; A.M. Pugachev; Yu.L. Tushinova; A.P. Yelisseyev
Journal of publication	Advanced Powder Technology
Year of publication	2017
Journal volume	28
Journal issue	5
Pages of publication	1309 - 1315
a	13.52363 ± 0.00038 Å
b	13.52363 ± 0.00038 Å
c	31.1617 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	4935.6 ± 0.3 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor R(I) for significantly intense reflections	1.75
Goodness-of-fit parameter for all reflections	4.75
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~~2~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
205493 (current)	2018-01-23	cif/ Removing the _chemical_name_mineral data item that contains an empty value from multiple files.	1545793.cif
195687	2017-04-22	cif/ Adding structures of 1545793 via cif-deposit CGI script.	1545793.cif