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#$Date: 2015-07-08 20:36:02 +0300 (Wed, 08 Jul 2015) $
#$Revision: 141265 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/60/2106085.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106085
loop_
_publ_author_name
'Chabot, B.'
'Parthe, E.'
_publ_section_title
;
 Sc2 Pt with orthorhombic Ni2 Si structure type
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1745
_journal_page_last               1746
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'Pt Sc2'
_chemical_name_systematic        'Pt Sc2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.592
_cell_length_b                   4.491
_cell_length_c                   8.206
_cell_volume                     242.936
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Chabot_ACBCAR_1979_1835.cif
_cod_data_source_block           Pt1Sc2
_cod_chemical_formula_sum_orig   'Pt1 Sc2'
_cod_database_code               2106085
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
Sc2 Sc 0.983 0.25 0.675 1 0.0
Sc1 Sc 0.852 0.25 0.074 1 0.0
Pt1 Pt 0.257 0.25 0.103 1 0.0