Crystallography Open Database

Information card for entry 4325889

Preview

Coordinates	4325889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B20 Ni21 Zn2
Calculated formula	B20 Ni21 Zn2
Title of publication	Crystal Structure of Novel Ni-Zn Borides: First Observation of a Boron-Metal Nested Cage Unit: B20Ni6
Authors of publication	Zahida P. Malik; Oksana Sologub; Andriy Grytsiv; Gerald Giester; Peter F. Rogl
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7669 - 7675
a	7.2103 ± 0.0001 Å
b	7.2103 ± 0.0001 Å
c	14.2842 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	742.61 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0236
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0365
Weighted residual factors for all reflections included in the refinement	0.0393
Goodness-of-fit parameter for all reflections included in the refinement	0.685
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
179361 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58.	4325889.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325889.cif
46925	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325889 via cif-deposit CGI script.	4325889.cif