#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/00/02/8000216.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_8000216
loop_
_publ_author_name
'Chen, X.'
'Yasukawa, M.'
'Yamanaka, S.'
'Sako, K.'
'Inoue, Y.'
_publ_section_title
;
 First single-crystal X-ray structural refinement of the rhombohedral C60
 polymer
;
_journal_name_full               'Chemical Physics Letters'
_journal_page_first              291
_journal_page_last               297
_journal_volume                  356
_journal_year                    2002
_chemical_formula_sum            C60
_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                   9.175
_cell_length_b                   9.175
_cell_length_c                   24.568
_cell_volume                     1791.070
_citation_journal_id_ASTM        CHPLBC
_cod_data_source_file            Chen_CHPLBC_2002_669.cif
_cod_data_source_block           C60
_cod_original_cell_volume        1791.07
_cod_database_code               8000216
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
C5 C 0.0157 0.2907 0.0946 1 0.0
C6 C 0.1567 0.155 0.1269 1 0.0
C1 C 0.4609 0.3661 0.0113 1 0.0
C4 C 0.1898 0.3796 0.0732 1 0.0
C3 C 0.3906 0.2722 0.0639 1 0.0
C2 C 0.2254 0.4508 0.0236 1 0.0
