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#$Date: 2015-07-06 23:38:44 +0200 (lun 06 de jul de 2015) $
#$Revision: 140525 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/39/4123921.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_4123921
loop_
_publ_author_name
'Chen, X.H.'
'Chi, D.H.'
'Liu, Z.S.'
'Takenobu, T.'
'Sun, Z.'
'Iwasa, Y.'
_publ_section_title
;
 Synthesis, structure, and transport properties of novel fullerides A3 C70
 (A = Ba and Sm)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5729
_journal_page_last               5732
_journal_volume                  122
_journal_year                    2000
_chemical_formula_sum            'C70 Sm3'
_chemical_name_systematic        'Sm3 C70'
_space_group_IT_number           3
_symmetry_space_group_name_Hall  'P 2y'
_symmetry_space_group_name_H-M   'P 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.16
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.88
_cell_length_b                   10.09
_cell_length_c                   10.93
_cell_volume                     1631.546
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Chen_JACSAT_2000_1171.cif
_cod_data_source_block           C70Sm3
_cod_original_cell_volume        1631.547
_cod_database_code               4123921
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-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
C1 C 0 0 0 70 0.0
Sm4 Sm 0.092 0.427 0.399 0.5 0.0
Sm3 Sm 0.596 0.011 0.26 0.5 0.0
C2 C 0.5 0.5 0.5 70 0.0
Sm2 Sm 0.258 0.525 0.002 1 0.0
Sm1 Sm 0.223 0.976 0.539 1 0.0
