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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/96/1539656.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_1539656
loop_
_publ_author_name
'Belokoneva, E.L.'
'Urusov, V.S.'
'Leonyuk, L.I.'
'Leonyuk, N.I.'
_publ_section_title
;
 Polytype relations in a series of bismuth and thallium compounds
;
_journal_name_full
'Sverkhprovodimest: Fizika, Khimiya, Tekhnika'
_journal_page_first              106
_journal_page_last               115
_journal_volume                  2
_journal_year                    1989
_chemical_formula_sum            'Bi2.14908 Ca0.2 Cu O4 Sr1.40148'
_chemical_name_systematic        'Bi2 (Sr1.401 Ca.2 Bi.149) Cu O6'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2 (z,x,y)'
_symmetry_space_group_name_H-M   'C m c m (c,a,b)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            20
_cell_length_a                   5.49
_cell_length_b                   28.02
_cell_length_c                   24.84
_cell_volume                     3821.132
_citation_journal_id_ASTM        SFKTE6
_cod_data_source_file            Belokoneva_SFKTE6_1989_1497.cif
_cod_data_source_block           Bi2.14908Ca0.2Cu1O4Sr1.40148
_cod_original_sg_symbol_H-M      'A m m a'
_cod_original_formula_sum        'Bi2.14908 Ca0.2 Cu1 O4 Sr1.40148'
_cod_database_code               1539656
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z
-x,y,-z
-x+1/2,-y,z
-x,-y,-z
-x-1/2,y,z
x,-y,z
x-1/2,y,-z
x,y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,-y+1/2,-z+1/2
-x-1/2,y+1/2,z+1/2
x,-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
Bi3 Bi+3 0.75 0.2 0.05 1 0.0
O5 O-2 0.25 0.4 0.05 1 0.0
Ca1 Ca+2 0.75 0.5 0.18 1 0.0
Bi4 Bi+3 0.25 0.3 0.05 1 0.0
Bi6 Bi+3 0.25 0.5 0.05 1 0.0
Cu3 Cu+2 0.75 0.2 0.26 1 0.0
O10 O-2 0.25 0.3 0.16 1 0.0
Sr5 Sr+2 0.25 0.4 0.18 0.7525 0.0
Sr2 Sr+2 0.75 0.1 0.18 0.7504 0.0
Bi2 Bi+3 0.25 0.1 0.05 1 0.0
O2 O-2 0.75 0.1 0.05 1 0.0
Sr4 Sr+2 0.75 0.3 0.18 0.7504 0.0
O8 O-2 0.25 0.1 0.16 1 0.0
Sr1 Sr+2 0.25 0 0.18 1 0.0
Sr3 Sr+2 0.25 0.2 0.18 0.7504 0.0
Bi8 Bi+3 0.25 0.2 0.18 0.0834 0.0
Bi10 Bi+3 0.25 0.4 0.18 0.1225 0.0
Bi9 Bi+3 0.75 0.3 0.18 0.0834 0.0
Bi1 Bi+3 0.75 0 0.05 1 0.0
O4 O-2 0.75 0.3 0.05 1 0.0
Cu1 Cu+2 0.75 0 0.26 1 0.0
Bi7 Bi+3 0.75 0.1 0.18 0.0834 0.0
O1 O-2 0.25 0 0.05 1 0.0
O3 O-2 0.25 0.2 0.05 1 0.0
O7 O-2 0.75 0 0.16 1 0.0
O9 O-2 0.75 0.2 0.16 1 0.0
O12 O-2 0.25 0.5 0.16 1 0.0
O6 O-2 0.75 0.5 0.05 1 0.0
Bi5 Bi+3 0.75 0.4 0.05 1 0.0
O11 O-2 0.75 0.4 0.16 1 0.0
Cu2 Cu+2 0.25 0.1 0.26 1 0.0
