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#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/06/9010633.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9010633
loop_
_publ_author_name
'Laufek, F.'
'Drabek, M.'
'Skala, R.'
'Haloda, J.'
'Taborsky, Z.'
'Cisarova, I.'
_publ_section_title
;
 Vavrinite, Ni2SbTe2, a new mineral species from the Kunratice Cu-Ni sulfide
 deposit, Czech Republic
 Locality: synthetic
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1213
_journal_page_last               1219
_journal_volume                  45
_journal_year                    2007
_chemical_formula_sum            'Ni2 Sb Te2'
_chemical_name_mineral           Vavrinite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.9090
_cell_length_b                   3.9090
_cell_length_c                   15.6820
_cell_volume                     207.522
_exptl_crystal_density_diffrn    7.911
_cod_database_code               9010633
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ni 0.01100 0.01100 0.01500 0.00390 0.00000 0.00000
Sb 0.00600 0.00600 0.01200 0.00310 0.00000 0.00000
Te 0.00700 0.00700 0.01000 0.00550 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ni 0.00000 0.00000 0.16570 0.01200
Sb 0.33333 0.66667 0.25000 0.00820
Te 0.33333 0.66667 0.58704 0.00860