Crystallography Open Database

Information card for entry 1501465

Preview

Coordinates	1501465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Tc2 Y
Calculated formula	Tc2 Y
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	5.373 Å
b	5.373 Å
c	8.847 Å
α	90°
β	90°
γ	120°
Cell volume	221.187 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.	1501465.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1501465.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501465.cif
21542	2011-06-23	cif/1/ Fixing values of _atom_site_symmetry_multiplicity and _atom_site_Wyckoff_symbol in four recently deposited entries.	1501465.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	1501465.cif
20935	2011-06-20	cif/1/ Correcting author list syntax in four recently deposited entries.	1501465.cif
20931	2011-06-20	../uploads/cif-deposit/cod/cif Adding structures of 1501465 via cif-deposit CGI script.	1501465.cif