#------------------------------------------------------------------------------
#$Date: 2015-09-18 02:11:30 +0300 (Fri, 18 Sep 2015) $
#$Revision: 157292 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/45/4124507.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_4124507
loop_
_publ_author_name
'Margadonna, S.'
'Prassides, K.'
'Aslanis, E.'
_publ_section_title
;
 Ammoniated alkali fullerides (N D3)x Na A2 C60: ammonia specific effects
 and superconductivity
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10146
_journal_page_last               10156
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C60 D2.58 N0.86 Na0.93 Rb1.83'
_chemical_name_systematic        '(N D3)0.86 (Na0.93 Rb1.83 C60)'
_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                   14.42598
_cell_length_b                   14.42598
_cell_length_c                   14.42598
_cell_volume                     3002.175
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Margadonna_JACSAT_2002_320.cif
_cod_data_source_block           C60D2.58N0.86Na0.93Rb1.83
_cod_database_code               4124507
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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
N1 N-3 0.4866 0.4866 0.4866 0.107 0.0
C1 C 0 0.0487 0.2437 0.5 0.0
Na2 Na 0.5 0.5 0.5 0.072 0.0
Rb2 Rb 0.5 0.5 0.5 0.101 0.0
Rb1 Rb 0.25 0.25 0.25 0.867 0.0
D1 D+1 0 0.4198 0 0.428 0.0
C3 C 0.17973 0.15982 0.04948 0.5 0.0
C2 C 0.21037 0.08099 0.09955 0.5 0.0
Na1 Na 0.5858 0.5858 0.5858 0.107 0.0
