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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/59/1535986.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_1535986
loop_
_publ_author_name
'Venturini, G.'
'Steinmetz, J.'
'Roques, B.'
_publ_section_title
;
 Relations entre les types structuraux de Ti Mn (Fe) Si2 et Zr Fe Si2 et
 determinationn d'une mouvelle structure apparentee: Le type Zr Mn Si2
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              21
_journal_page_last               30
_journal_volume                  87
_journal_year                    1982
_chemical_formula_sum            'Mn Si2 Zr'
_chemical_name_systematic        'Zr Mn Si2'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   17.324
_cell_length_b                   7.8918
_cell_length_c                   5.1666
_cell_volume                     706.365
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Venturini_JCOMAH_1982_1515.cif
_cod_data_source_block           Mn1Si2Zr1
_cod_original_cell_volume        706.3649
_cod_original_formula_sum        'Mn1 Si2 Zr1'
_cod_database_code               1535986
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
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
Si5 Si 0.3631 0.353 0 1 0.0
Si2 Si 0.5 0 0.255 1 0.0
Si3 Si 0.201 0 0 1 0.0
Mn2 Mn 0 0.247 0.5 1 0.0
Zr1 Zr 0.0943 0.2581 0 1 0.0
Zr2 Zr 0.6409 0 0 1 0.0
Mn1 Mn 0.25 0.25 0.25 1 0.0
Si4 Si 0.79 0.5 0 1 0.0
Si1 Si 0 0 0.241 1 0.0
