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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/21/1522177.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_1522177
loop_
_publ_author_name
'Kotur, B.Ya.'
'Bodak, O.I.'
'Andrusyak, R.I.'
'Zavodnik, V.E.'
'Bel'skii, V.K.'
_publ_section_title
;
 The crystal structure of Sc29 Fe6
;
_journal_name_full
;
Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta 
Biologichni Nauki
;
_journal_page_first              29
_journal_page_last               32
_journal_volume                  1986
_journal_year                    1986
_chemical_formula_sum            'Fe6 Sc29'
_space_group_IT_number           200
_symmetry_space_group_name_Hall  '-P 2 2 3'
_symmetry_space_group_name_H-M   'P m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.361
_cell_length_b                   14.361
_cell_length_c                   14.361
_cell_volume                     2961.789
_citation_journal_id_ASTM        DANND6
_cod_data_source_file            Kotur_DANND6_1986_53.cif
_cod_data_source_block           Fe6Sc29
_cod_database_code               1522177
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
z,x,y
-z,-x,y
z,-x,-y
-z,x,-y
y,z,x
y,-z,-x
-y,z,-x
-y,-z,x
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
-z,-x,-y
z,x,-y
-z,x,y
z,-x,y
-y,-z,-x
-y,z,x
y,-z,x
y,z,-x
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
Fe2 Fe 0.5 0.3 0.1659 1 0.0
Sc11 Sc 0.2017 0.3121 0.3842 1 0.0
Sc8 Sc 0.5 0.3895 0.3204 1 0.0
Sc6 Sc 0 0.1113 0.1809 1 0.0
Sc3 Sc 0.3651 0 0 1 0.0
Sc9 Sc 0.5 0.129 0.113 1 0.0
Sc7 Sc 0 0.3989 0.3232 1 0.0
Sc5 Sc 0.1274 0.5 0.5 1 0.0
Sc1 Sc 0 0 0 1 0.0
Sc4 Sc 0.2768 0.5 0 1 0.0
Sc2 Sc 0.5 0.5 0.5 1 0.0
Sc10 Sc 0.2925 0.1816 0.1138 1 0.0
Fe1 Fe 0 0.2054 0.3352 1 0.0
