Crystallography Open Database

Information card for entry 1501466

Preview

Coordinates	1501466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Tc2 Zr
Calculated formula	Tc2 Zr
Title of publication	Nuclear quadrupole moment of the 99Tc ground state
Authors of publication	Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan
Journal of publication	Physical Review B
Year of publication	2008
Journal volume	77
Pages of publication	195118
a	5.2185 Å
b	5.2185 Å
c	8.6527 Å
α	90°
β	90°
γ	120°
Cell volume	204.067 Å³
Number of distinct elements	2
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1501466.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1501466.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501466.cif
21542	2011-06-23	cif/1/ Fixing values of _atom_site_symmetry_multiplicity and _atom_site_Wyckoff_symbol in four recently deposited entries.	1501466.cif
21541	2011-06-23	cif/1/ Correcting coordinates of the 6h positions of Tc2 atom in the 150146{5,6}.cif COD entries. Correct coordinates were received via e-mail from the authors: From: Stefaan Cottenier <Stefaan.Cottenier@xxxxx.be> To: Saulius Grazulis <grazulis@xxxxx.lt> Date: 2011-06-22 17:26 /.../ The last blocks should read /.../ for YTc2: _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y1 Y 4 f 0.33333333 0.66666667 0.06358 1 Tc1 Tc 2 a 0 0 0 1 Tc2 Tc 6 h 0.82920 0.65840 0.25 1 for ZrTc2: _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr1 Zr 4 f 0.33333333 0.66666667 0.06243 1 Tc1 Tc 2 a 0 0 0 1 Tc2 Tc 6 h 0.82895 0.65790 0.25 1	1501466.cif
20935	2011-06-20	cif/1/ Correcting author list syntax in four recently deposited entries.	1501466.cif
20932	2011-06-20	../uploads/cif-deposit/cod/cif Adding structures of 1501466 via cif-deposit CGI script.	1501466.cif