#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/09/1520924.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_1520924
loop_
_publ_author_name
'Catti, M.'
'Levy, D.'
'Artioli, G.'
_publ_section_title
;
 Synchrotron X-ray powder diffraction study of (Bi, Pb)1.64 Sr1.43 Ca1.57
 Mn2 O9, Mn-analogue of BSCCO-2212 superconductor
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              501
_journal_page_last               508
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'Bi0.9888 Ca1.57 Mn2 O9 Pb0.6592 Sr1.43'
_chemical_name_systematic
;
(Bi0.6 Pb0.4)1.648 (Ca0.67 Sr0.33)2 (Sr0.77 Ca0.23) Mn2 O9
;
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-A 2a 2'
_symmetry_space_group_name_H-M   'A m a a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3314
_cell_length_b                   5.3697
_cell_length_c                   31.067
_cell_volume                     889.387
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Catti_JSSCBI_1999_350.cif
_cod_data_source_block           Bi0.9888Ca1.57Mn2O9Pb0.6592Sr1.43
_cod_original_cell_volume        889.3866
_cod_original_sg_symbol_Hall     '-C 2 2c (z,x,y)'
_cod_database_code               1520924
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x+1/2,y,-z
-x+1/2,-y,z
-x,-y,-z
-x,y,z
x-1/2,-y,z
x-1/2,y,-z
x,y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,-y+1/2,-z+1/2
-x,y+1/2,z+1/2
x-1/2,-y+1/2,z+1/2
x-1/2,y+1/2,-z+1/2
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
Pb1 Pb+2 0 0.7509 0.04802 0.33 0.0
O1 O-2 0.75 0 0.1934 1 0.0
Mn1 Mn+3 0.5 0.2482 0.18718 1 0.0
O5 O-2 0 0.75 0.75 1 0.0
O4 O-2 0.073 0.3821 0.0497 0.5 0.0
O3 O-2 0.5 0.238 0.1155 1 0.0
Sr1 Sr+2 0 0.2535 0.13034 0.33 0.0
Ca2 Ca+2 0 0.25 0.25 0.23 0.0
Ca1 Ca+2 0 0.2535 0.13034 0.67 0.0
Sr2 Sr+2 0 0.25 0.25 0.77 0.0
O2 O-2 0.25 0.5 0.1738 1 0.0
Bi1 Bi+3 0 0.7509 0.04802 0.494 0.0
