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#$Date: 2015-07-11 22:11:29 +0300 (Sat, 11 Jul 2015) $
#$Revision: 145731 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/48/1524877.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_1524877
loop_
_publ_author_name
'Markiv, V.Ya.'
'Belyavina, N.N.'
'Gavrilenko, I.S.'
_publ_section_title
;
 Crystal structure and some ternary compounds in the system Sc - Cu - Ga
;
_journal_name_full               'Izvestiya Akademii Nauk SSSR, Metally'
_journal_page_first              215
_journal_page_last               217
_journal_volume                  1984
_journal_year                    1984
_chemical_formula_sum            'Cu36.7 Ga14.3 Sc14'
_chemical_name_systematic        '(Cu36.7 Ga14.3) Sc14'
_space_group_IT_number           175
_symmetry_space_group_name_Hall  '-P 6'
_symmetry_space_group_name_H-M   'P 6/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   11.438
_cell_length_b                   11.438
_cell_length_c                   8.352
_cell_volume                     946.284
_citation_journal_id_ASTM        IZNMAQ
_cod_data_source_file            Markiv_IZNMAQ_1984_1451.cif
_cod_data_source_block           Cu36.7Ga14.3Sc14
_cod_original_cell_volume        946.2836
_cod_database_code               1524877
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
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,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
Sc1 Sc 0 0 0.32 1 0.0
Ga2 Ga 0.3333 0.6667 0.309 0.28 0.0
Ga6 Ga 0.125 0.469 0.144 0.28 0.0
Ga3 Ga 0.976 0.131 0 0.14 0.0
Cu6 Cu 0.125 0.469 0.144 0.72 0.0
Cu1 Cu 0.3333 0.6667 0 0.72 0.0
Sc3 Sc 0.162 0.593 0.5 1 0.0
Ga1 Ga 0.3333 0.6667 0 0.28 0.0
Cu7 Cu 0.457 0.11 0.293 0.72 0.0
Ga7 Ga 0.457 0.11 0.293 0.28 0.0
Cu3 Cu 0.976 0.131 0 0.36 0.0
Sc2 Sc 0.36 0.116 0 1 0.0
Cu5 Cu 0.258 0.207 0.243 0.72 0.0
Cu2 Cu 0.3333 0.6667 0.309 0.72 0.0
Ga5 Ga 0.258 0.207 0.243 0.28 0.0
Cu4 Cu 0.226 0.03 0.5 0.72 0.0
Ga4 Ga 0.226 0.03 0.5 0.28 0.0
