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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/4/12/44/4124495.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_4124495
loop_
_publ_author_name
'Denning, M.S.'
'Moussa, S.M.'
'Watts, I.D.'
'Durand, P.'
'Rosseinsky, M.J.'
'Tanigaki, K.'
_publ_section_title
;
 Close-packed C70(3-) phases - synthesis, structure and electronic
 properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5570
_journal_page_last               5580
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C70 Cs K2'
_chemical_name_systematic        'K2 Cs C70'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.2342
_cell_length_b                   15.2342
_cell_length_c                   15.2342
_cell_volume                     3535.566
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Denning_JACSAT_2002_343.cif
_cod_data_source_block           C70Cs1K2
_cod_original_formula_sum        'C70 Cs1 K2'
_cod_database_code               4124495
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
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
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z,-y,x
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y,-x,-z
x,y,-z
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-x,y,z
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x,-y,z
y,x,z
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z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
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y,-z,x
z,y,x
y,z,-x
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y,-x+1/2,z+1/2
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z,x+1/2,y+1/2
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y,z+1/2,x+1/2
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z,y+1/2,-x+1/2
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-y,z+1/2,x+1/2
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x+1/2,-y,-z+1/2
y+1/2,x,-z+1/2
-x+1/2,y,-z+1/2
-y+1/2,-x,-z+1/2
z+1/2,x,y+1/2
-x+1/2,z,y+1/2
-z+1/2,-x,y+1/2
x+1/2,-z,y+1/2
z+1/2,-x,-y+1/2
x+1/2,z,-y+1/2
-z+1/2,x,-y+1/2
-x+1/2,-z,-y+1/2
y+1/2,z,x+1/2
y+1/2,-z,-x+1/2
z+1/2,y,-x+1/2
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-z+1/2,-y,-x+1/2
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z+1/2,-y,x+1/2
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-x+1/2,y,z+1/2
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z+1/2,-x,y+1/2
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z+1/2,-x+1/2,y
x+1/2,z+1/2,y
-y+1/2,-z+1/2,-x
-y+1/2,z+1/2,x
-z+1/2,-y+1/2,x
y+1/2,-z+1/2,x
z+1/2,y+1/2,x
y+1/2,z+1/2,-x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-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
K1 K 0.25 0.25 0.25 1.04 0.0
Cs1 Cs 0.5 0.5 0.5 1.022 0.0
C1 C 0 0 0 70 0.0
