#------------------------------------------------------------------------------
#$Date: 2016-01-01 11:22:09 +0100 (vie 01 de ene de 2016) $
#$Revision: 171889 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/03/2020340.cif $
#------------------------------------------------------------------------------
#
# 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_2020340
loop_
_publ_author_name
'Zhao, J.-T.'
'Chabot, B.'
'Parthe, E.'
_publ_section_title
;
 Sc7Re4Si10, a ternary substitution variant of the Ho11Ge10 type
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              397
_journal_page_last               399
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'Re3.345 Sc7 Si10.654'
_chemical_name_systematic        'Sc7 Re3.345 Si10.654'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8123
_cell_length_b                   9.8123
_cell_length_c                   14.274
_cell_volume                     1374.318
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Zhao_ACSCEE_1988_1458.cif
_cod_data_source_block           Re3.345Sc7Si10.654
_cod_database_code               2020340
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
Si4 Si 0.1085 0.1085 0 0.947 0.0
Si6 Si 0 0.5 0.25 1 0.0
Re1 Re 0 0.33269 0.10682 0.81 0.0
Sc3 Sc 0 0 0.1661 1 0.0
Si1 Si 0 0.33269 0.10682 0.19 0.0
Si5 Si 0 0 0.3987 1 0.0
Si3 Si 0.1269 0.5 0 1 0.0
Re2 Re 0.1085 0.1085 0 0.053 0.0
Si2 Si 0.2072 0.2072 0.1723 1 0.0
Sc1 Sc 0 0.2533 0.3143 1 0.0
Sc2 Sc 0.315 0.315 0 1 0.0
