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#$Date: 2015-07-13 04:54:56 +0300 (Mon, 13 Jul 2015) $
#$Revision: 149248 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/75/1527597.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_1527597
loop_
_publ_author_name
'Johnson, V.'
'Jeitschko, W.'
_publ_section_title
;
 Ternary Equiatomic Transition Metal Silicides and Germanides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              123
_journal_page_last               130
_journal_volume                  4
_journal_year                    1972
_chemical_formula_sum            'Ru Si Zr'
_chemical_name_systematic        'Zr Ru Si'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.6838
_cell_length_b                   6.6838
_cell_length_c                   3.6717
_cell_volume                     142.051
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Johnson_JSSCBI_1972_1980.cif
_cod_data_source_block           Ru1Si1Zr1
_cod_original_cell_volume        142.0511
_cod_chemical_formula_sum_orig   'Ru1 Si1 Zr1'
_cod_database_code               1527597
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-x+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
Ru1 Ru+2 0.248 0 0 1 0.0
Zr1 Zr+2 0.58 0 0.5 1 0.0
Si2 Si-4 0 0 0.5 1 0.0
Si1 Si-4 0.3333 0.6667 0 1 0.0