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#$Date: 2015-07-11 21:46:25 +0200 (Sat 11 de Jul de 2015) $
#$Revision: 145958 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/50/1525065.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_1525065
loop_
_publ_author_name
'Pecharskii, V.K.'
'Gladyshevskii, E.I.'
'Bodak, O.I.'
_publ_section_title
;
 Scandium rhenium silicide (Sc2 Re3 Si4 - the first representive of
 zirconium silicide (Zr5 Si4) structure type among ternary silicides
;
_journal_name_full
;
Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta 
Tekhnichni Nauki
;
_journal_page_first              755
_journal_page_last               759
_journal_volume                  40
_journal_year                    1978
_chemical_formula_sum            'Re3 Sc2 Si4'
_chemical_name_systematic        'Sc2 Re3 Si4'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.619
_cell_length_b                   6.619
_cell_length_c                   12.36
_cell_volume                     541.506
_citation_journal_id_ASTM        DNUNDU
_cod_data_source_file            Pecharskii_DNUNDU_1978_328.cif
_cod_data_source_block           Re3Sc2Si4
_cod_original_cell_volume        541.5059
_cod_database_code               1525065
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+3/4
x+1/2,-y+1/2,-z+3/4
y,x,-z
-x+1/2,y+1/2,-z+1/4
-y,-x,-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
Si1 Si 0.2117 0.171 0.6988 1 0.0
Re1 Re 0.1863 0.9805 0.8649 1 0.0
Re2 Re 0.3324 0.3324 0 1 0.0
Si2 Si 0.2899 0.992 0.0513 1 0.0
Sc1 Sc 0.3504 0.9967 0.473 1 0.0
