#------------------------------------------------------------------------------
#$Date: 2015-09-17 03:27:36 +0200 (jue 17 de sep de 2015) $
#$Revision: 156665 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/44/4124490.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_4124490
loop_
_publ_author_name
'Denning, M.S.'
'Watts, I.D.'
'Rosseinsky, M.J.'
'Moussa, S.M.'
'Durand, P.'
'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 Cs1.068 Na2.04'
_chemical_name_systematic        'Na2.04 Cs1.068 C70'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 144.78
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.19
_cell_length_b                   10.406
_cell_length_c                   14.86
_cell_volume                     1622.178
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Denning_JACSAT_2002_338.cif
_cod_data_source_block           C70Cs1.068Na2.04
_cod_database_code               4124490
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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 1.068 0.0
C1 C 0 0 0 70 0.0
Na1 Na 0 0.5 0.303 1.02 0.0
