#------------------------------------------------------------------------------
#$Date: 2015-10-01 16:54:52 +0300 (Thu, 01 Oct 2015) $
#$Revision: 159511 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/33/1533364.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_1533364
loop_
_publ_author_name
'Chi Dam Hieu'
'Iwasa, Y.'
'Uehara, K.'
'Ohishi, Y.'
'Kato, K.'
'Takenobu, T.'
'Takata, M.'
'Nishibori, E.'
'Mitani, T.'
'Sakata, M.'
'Ito, T.'
'Kubozono, Y.'
_publ_section_title
;
 Pressure-induced structural phase transition in fullerides doped with
 rare-earth metals
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              094101-1
_journal_page_last               094101-9
_journal_volume                  67
_journal_year                    2003
_chemical_formula_sum            'C70 Sm2.78'
_chemical_name_systematic        'Sm2.78 C70'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.205
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.408
_cell_length_b                   9.723
_cell_length_c                   10.592
_cell_volume                     1475.130
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            ChiDamHieu_PRBMDO_2003_635.cif
_cod_data_source_block           C70Sm2.78
_cod_original_cell_volume        1475.13
_cod_database_code               1533364
loop_
_symmetry_equiv_pos_as_xyz
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
Sm6 Sm 0.988 0.429 0.46 0.5 0.0
Sm1 Sm 0.25 0.977 0.517 1 0.0
Sm8 Sm 0.489 0.92 0.039 0.5 0.0
C2 C 0.5 0.5 0.5 70 0.0
Sm4 Sm 0.747 0.531 0.02 0.95 0.0
Sm2 Sm 0.743 0.013 0.477 0.93 0.0
Sm3 Sm 0.231 0.489 0.97 0.68 0.0
Sm7 Sm 0.51 0.914 0.041 0.5 0.0
Sm5 Sm 0.011 0.431 0.455 0.5 0.0
