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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/8/10/41/8104171.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_8104171
loop_
_publ_author_name
'Kotur, B.Ya.'
'Cerny, R.'
'Pacheco, J.V.'
'Yvon, K.'
_publ_section_title
;
 Refinement of th crystal structure of scandium diiron disilicide, Sc Fe2
 Si2
;
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              289
_journal_page_last               289
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'Fe2 Sc Si2'
_chemical_name_systematic        'Sc Fe2 Si2'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5002
_cell_length_b                   7.1375
_cell_length_c                   5.0224
_cell_volume                     268.863
_citation_journal_id_ASTM        ZKNSFT
_cod_data_source_file            Kotur_ZKNSFT_1997_1955.cif
_cod_data_source_block           Fe2Sc1Si2
_cod_original_cell_volume        268.8625
_cod_original_formula_sum        'Fe2 Sc1 Si2'
_cod_database_code               8104171
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y-1/2,z
x,-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
Sc1 Sc 0.2511 0.4028 0.25 1 0.0
Si2 Si 0.5479 0.25 0 1 0.0
Si1 Si 0.0832 0.05 0.25 1 0.0
Fe1 Fe 0.3843 0.0115 0.25 1 0.0
Fe2 Fe 0.8824 0.25 0 1 0.0
