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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/39/4123993.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_4123993
loop_
_publ_author_name
'Belik, A.A.'
'Shamoto, S.'
'Kodama, K.'
'Igawa, N.'
'Iikubo, S.'
'Takayama-Muromachi, E.'
'Maie, M.'
'Matsui, Y.'
'Stefanovich, S.Yu.'
'Nagai, T.'
'Lazoryak, B.I.'
_publ_section_title
;
 Bi Sc O3: Centrosymmetric Bi Mn O3-type oxide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              706
_journal_page_last               707
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'Bi O3 Sc'
_chemical_name_systematic        'Bi Sc O3'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.303
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.8906
_cell_length_b                   5.8222
_cell_length_c                   10.0467
_cell_volume                     549.271
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Belik_JACSAT_2006_695.cif
_cod_data_source_block           Bi1O3Sc1
_cod_original_cell_volume        549.2708
_cod_original_formula_sum        'Bi1 O3 Sc1'
_cod_database_code               4123993
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-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
O2 O-2 0.4261 0.0758 0.6719 1 0.0
Sc1 Sc+3 0 0 0 1 0.0
O5 O-2 0.3431 0.244 0.9171 1 0.0
O6 O-2 0.1546 0.2414 0.1041 1 0.0
O4 O-2 0.3642 0.2998 0.4137 1 0.0
O3 O-2 0.1647 0.3041 0.6255 1 0.0
O1 O-2 0.0874 -0.0518 0.8376 1 0.0
Bi1 Bi+3 0.1405 -0.047 0.3913 1 0.0
Bi2 Bi+3 0.3683 0.0824 0.1205 1 0.0
Sc3 Sc+3 0.5 0.0043 0.5 1 0.0
Sc2 Sc+3 0.2469 0.0036 0.7484 1 0.0
