#------------------------------------------------------------------------------
#$Date: 2016-03-02 08:51:31 +0100 (Wed 02 de Mar de 2016) $
#$Revision: 177123 $
#$URL: svn://www.crystallography.net/cod/cif/5/91/00/5910008.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_5910008
_chemical_formula_structural     ZrI3
_chemical_formula_sum            'I3 Zr'
_chemical_name_systematic        'Zirconium iodide'
_space_group_IT_number           193
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_audit_creation_date             2005-04-11
_audit_creation_method
http://jcrystal.com/steffenweber/gallery/StructureTypes/st4.html
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.25
_cell_length_b                   7.25
_cell_length_c                   6.64
_cell_volume                     302.256
_cod_original_formula_sum        'Zr I3'
_cod_database_code               5910008
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
y,-x+y,z+1/2
-y,x-y,z
-x+y,-x,z
x-y,-y,-z+1/2
-x,-x+y,-z+1/2
-x,-y,z+1/2
y,x,-z+1/2
-y,-x,-z
-x+y,y,-z
x,x-y,-z
-x,-y,-z
-x+y,-x,-z+1/2
-y,x-y,-z+1/2
y,-x+y,-z
x-y,x,-z
-x+y,y,z+1/2
x,x-y,z+1/2
x,y,-z+1/2
-y,-x,z+1/2
y,x,z
x-y,-y,z
-x,-x+y,z
loop_
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_label
0.00000 0.00000 0.00000 Zr
0.32500 0.00000 0.25000 I
