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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/24/1522458.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_1522458
loop_
_publ_author_name
'Markiv, V.Ya.'
'Belyavina, N.N.'
_publ_section_title
;
 Crystal structure of the Sc8.5 Mn1.2 Ga and Sc8.5 Fe1.2 Ga compounds
;
_journal_name_full
;
Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta 
Tekhnichni Nauki
;
_journal_page_first              75
_journal_page_last               78
_journal_volume                  51
_journal_year                    1989
_chemical_formula_sum            'Ga1.42 Mn2 Sc13.41'
_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            8
_cell_length_a                   14.284
_cell_length_b                   14.284
_cell_length_c                   14.84
_cell_volume                     3027.845
_citation_journal_id_ASTM        DNUNDU
_cod_data_source_file            Markiv_DNUNDU_1989_217.cif
_cod_data_source_block           Ga1.42Mn2Sc13.41
_cod_database_code               1522458
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
Sc9 Sc 0.197 0 0.107 1 0.0
Sc14 Sc 0.114 0.305 0.17 1 0.0
Mn1 Mn 0.337 0 0.217 1 0.0
Sc1 Sc 0 0 0 1 0.0
Sc8 Sc 0 0.592 0.651 1 0.0
Mn2 Mn 0.188 0.334 0 1 0.0
Sc7 Sc 0 0.104 0.172 1 0.0
Sc13 Sc 0.181 0.107 0.285 1 0.0
Sc10 Sc 0.136 0.194 0 0.86 0.0
Sc12 Sc 0.311 0.198 0.113 1 0.0
Sc2 Sc 0.632 0 0 1 0.0
Ga1 Ga 0 0.205 0.328 1 0.0
Sc11 Sc 0.608 0.618 0 1 0.0
Sc3 Sc 0 0.638 0 1 0.0
Ga2 Ga 0.674 0 0.595 0.42 0.0
Sc4 Sc 0 0.295 0.5 0.6 0.0
Sc6 Sc 0.5 0 0.337 1 0.0
Sc5 Sc 0 0 0.634 1 0.0
