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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/4/12/45/4124506.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_4124506
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 D2.91 K0.85 N0.97 Na0.98 Rb'
_chemical_name_systematic        '(N D3)0.97 (Na0.98 K0.85 Rb 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                   14.3358
_cell_length_b                   14.3358
_cell_length_c                   14.3358
_cell_volume                     2946.224
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Margadonna_JACSAT_2002_318.cif
_cod_data_source_block           C60D2.91K0.85N0.97Na0.98Rb1
_cod_original_formula_sum        'C60 D2.91 K0.85 N0.97 Na0.98 Rb1'
_cod_database_code               4124506
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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
Rb1 Rb 0.25 0.25 0.25 0.466 0.0
Rb2 Rb 0.5 0.5 0.5 0.065 0.0
C2 C 0.2121 0.0814 0.0995 0.5 0.0
K1 K 0.25 0.25 0.25 0.426 0.0
Na1 Na 0.582 0.582 0.582 0.121 0.0
N1 N-3 0.4824 0.4824 0.4824 0.121 0.0
Na2 Na 0.5 0.5 0.5 0.017 0.0
C1 C 0 0.0483 0.2425 0.5 0.0
D1 D+1 0.4955 0.4152 0.4955 0.121 0.0
C3 C 0.1806 0.1603 0.0503 0.5 0.0
