Crystallography Open Database

Information card for entry 4325890

Preview

Coordinates	4325890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B96 Ni144 Zn12
Calculated formula	B90.8 Ni144 Zn12
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	10.527 ± 0.0002 Å
b	14.5236 ± 0.0003 Å
c	14.5537 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2225.11 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4325890.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325890.cif
46926	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325890 via cif-deposit CGI script.	4325890.cif