#------------------------------------------------------------------------------
#$Date: 2015-10-14 01:47:26 +0300 (Wed, 14 Oct 2015) $
#$Revision: 167915 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/91/1539133.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_1539133
loop_
_publ_author_name
'Swaroop, B.'
'Flengas, S.N.'
_publ_section_title
;
 Crystal structure of zirconium trichloride
;
_journal_name_full               'Canadian Journal of Physics'
_journal_page_first              1886
_journal_page_last               1889
_journal_volume                  42
_journal_year                    1964
_chemical_formula_sum            'Cl2 Zr0.667'
_chemical_name_systematic        'Zr0.667 Cl2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.446
_cell_length_b                   3.446
_cell_length_c                   9.669
_cell_volume                     99.436
_citation_journal_id_ASTM        CJPHAD
_cod_data_source_file            Swaroop_CJPHAD_1964_1592.cif
_cod_data_source_block           Cl2Zr0.667
_cod_original_cell_volume        99.43579
_cod_database_code               1539133
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Zr1 Zr+3 0 0 0 0.667 0.0
Cl1 Cl-1 0.3333 0.6667 0.25 1 0.0
