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#$Date: 2015-09-17 03:30:00 +0200 (jue 17 de sep de 2015) $
#$Revision: 156673 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/44/4124494.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_4124494
loop_
_publ_author_name
'Denning, M.S.'
'Watts, I.D.'
'Rosseinsky, M.J.'
'Moussa, S.M.'
'Tanigaki, K.'
'Durand, P.'
_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 Cs0.883 Na1.08'
_chemical_name_systematic        'Na1.08 Cs0.883 C70'
_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                   10.443
_cell_length_b                   10.443
_cell_length_c                   25.706
_cell_volume                     2427.816
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Denning_JACSAT_2002_342.cif
_cod_data_source_block           C70Cs0.883Na1.08
_cod_original_cell_volume        2427.815
_cod_database_code               4124494
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
Cs1 Cs 0 0 0.5 0.883 0.0
Na1 Na 0 0 0.223 0.54 0.0
C1 C 0 0 0 70 0.0
