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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/45/4124508.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_4124508
loop_
_publ_author_name
'Margadonna, S.'
'Aslanis, E.'
'Prassides, K.'
_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 D2.37 N0.79 Na Rb2'
_chemical_name_systematic        '(N D3)0.79 (Na Rb2 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                   14.3879
_cell_length_b                   14.3879
_cell_length_c                   14.3879
_cell_volume                     2978.463
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Margadonna_JACSAT_2002_321.cif
_cod_data_source_block           C60D2.37N0.79Na1Rb2
_cod_original_formula_sum        'C60 D2.37 N0.79 Na1 Rb2'
_cod_database_code               4124508
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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
Rb2 Rb 0.5 0.5 0.5 0.223 0.0
Rb1 Rb 0.25 0.25 0.25 0.896 0.0
C2 C 0.2101 0.0831 0.0992 0.5 0.0
Na2 Na 0.5 0.5 0.5 0.224 0.0
Na1 Na 0.5817 0.5817 0.5817 0.099 0.0
C1 C 0 0.05 0.2437 0.5 0.0
N1 N-3 0.4822 0.4822 0.4822 0.099 0.0
C3 C 0.1796 0.1597 0.0486 0.5 0.0
