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#$Date: 2015-10-09 10:33:52 +0200 (vie 09 de oct de 2015) $
#$Revision: 161312 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/45/1534513.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_1534513
loop_
_publ_author_name
'Salvador, J.R.'
'Mahanti, S.D.'
'Bilc, D.'
'Kanatzidis, M.G.'
_publ_section_title
;
 Gallium flux synthesis of Tb3-x C2 Si8 (B12)3: a novel quaternary
 boron-rich phase containing B12-icosahedra
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              844
_journal_page_last               846
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C2 B36 Si8 Tb1.8'
_chemical_name_systematic        'Tb1.8 (B12)3 C2 Si8'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.1171
_cell_length_b                   10.1171
_cell_length_c                   16.397
_cell_volume                     1453.473
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Salvador_ACIEF5_2002_424.cif
_cod_data_source_block           C2B36Si8Tb1.8
_cod_database_code               1534513
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Si2 Si 0.3333 -0.3333 0.09555 1 0.0
B3 B 0.6632 0.1559 0.1368 1 0.0
C1 C 0 0 0.0513 1 0.0
Si1 Si 0.20277 -0.20277 0.06034 1 0.0
B2 B 0.1862 0.0931 0.1005 1 0.0
B4 B 0.3013 0.007 0.1151 1 0.0
Tb1 Tb 0.5 0 0 0.605 0.0
B1 B 0.3804 0.1902 0.0636 1 0.0
