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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/39/1533994.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_1533994
loop_
_publ_author_name
'Kotur, B.Ya.'
_publ_section_title
;
 Crystal structure of Sc2 M3 Si (where M= Fe, Co, Si) compounds
;
_journal_name_full
;
Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta 
Matematichni Nauki
;
_journal_page_first              164
_journal_page_last               165
_journal_volume                  1977
_journal_year                    1977
_chemical_formula_sum            'Co3 Sc2 Si'
_chemical_name_systematic        'Sc2 Co3 Si'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.945
_cell_length_b                   4.945
_cell_length_c                   7.91
_cell_volume                     167.510
_citation_journal_id_ASTM        DUKABM
_cod_data_source_file            Kotur_DUKABM_1977_1851.cif
_cod_data_source_block           Co3Sc2Si1
_cod_original_cell_volume        167.5096
_cod_original_formula_sum        'Co3 Sc2 Si1'
_cod_database_code               1533994
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
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
Sc1 Sc 0.3333 0.6667 0.0625 1 0.0
Co1 Co 0.16667 0.33334 0.25 1 0.0
Si1 Si 0 0 0 1 0.0
