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#$Date: 2016-01-01 12:23:33 +0200 (Fri, 01 Jan 2016) $
#$Revision: 171896 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/07/1540767.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_1540767
loop_
_publ_author_name
'Zhou, O.'
'Cox, D.E.'
_publ_section_title
;
 Structures of C60 intercalation compounds
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1373
_journal_page_last               1390
_journal_volume                  53
_journal_year                    1992
_chemical_formula_sum            'C60 K4'
_chemical_name_systematic        'K4 C60'
_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            2
_cell_length_a                   11.84
_cell_length_b                   11.84
_cell_length_c                   10.75
_cell_volume                     1506.995
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Zhou_JPCSAW_1992_1781.cif
_cod_data_source_block           C60K4
_cod_database_code               1540767
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
C9 C 0.1949 0.0615 0.2423 0.5 0.0
C3 C 0.2944 0 0.0649 0.5 0.0
C5 C 0.1205 0.2564 0.1096 0.5 0.0
C4 C 0.0995 0.1205 0.2824 0.5 0.0
C8 C 0.22 0.1949 0.0677 0.5 0.0
K1 K 0.2103 0.5 0 1 0.0
C6 C 0.2564 0.0995 0.1327 0.5 0.0
C2 C 0.0589 0.2944 0 0.5 0.0
C1 C 0 0.0589 0.3243 0.5 0.0
C7 C 0.0615 0.22 0.2147 0.5 0.0
