#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/37/1533717.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_1533717
loop_
_publ_author_name
'Sousa, P.M.'
'Carvalho, M.D.'
'Melo Jorge, M.E.'
'Costa, F.M.'
'Cruz, M.M.'
'Godinho, M.'
_publ_section_title
;
 Bismuth for calcium substitution in Ca4 Mn3 O10: preparation and study
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              943
_journal_page_last               949
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Bi0.196 Ca0.791 Mn O3'
_chemical_name_systematic        '(Ca0.791 Bi0.196) (Mn O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.33
_cell_length_b                   7.519
_cell_length_c                   5.329
_cell_volume                     213.566
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Sousa_SSSCFJ_2003_1033.cif
_cod_data_source_block           Bi0.196Ca0.791Mn1O3
_cod_original_cell_volume        213.5664
_cod_original_formula_sum        'Bi0.196 Ca0.791 Mn1 O3'
_cod_database_code               1533717
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Bi1 Bi+3 0.0373 0.25 0.0064 0.196 0.0
Mn1 Mn+3 0 0 0.5 1 0.0
Ca1 Ca+2 0.0373 0.25 0.0064 0.791 0.0
O2 O-2 0.298 0.043 0.714 1 0.0
O1 O-2 0.489 0.25 0.051 1 0.0
