#------------------------------------------------------------------------------
#$Date: 2018-07-07 03:59:37 +0200 (Sat 07 de Jul de 2018) $
#$Revision: 208902 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/15/1001571.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_1001571
loop_
_publ_author_name
'Pelloquin, D'
'Maignan, A'
'Caldes, M'
'Hervieu, M'
'Michel, C'
'Raveau, B'
_publ_section_title
;
The bismuth oxycarbonate Bi₂Sr₆₋ₓCu₃O₁₀(CO₃)₂. A new 40K
superconductor, second member of the series
(Bi₂Sr₂CuO₆)ₙ(Sr₂CuO₂CO₃)ₙ'
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              199
_journal_page_last               205
_journal_paper_doi               10.1016/0921-4534(93)90503-I
_journal_volume                  212
_journal_year                    1993
_chemical_formula_structural     'Bi2 Sr5 Cu3 (C O3)2 O10'
_chemical_formula_sum            'C2 Bi2 Cu3 O16 Sr5'
_chemical_name_systematic
;
Dibismuth pentastrontium tricopper bis(carbonate) decaoxide
;
_space_group_IT_number           69
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.469(2)
_cell_length_b                   5.483(2)
_cell_length_c                   54.26(1)
_cell_volume                     1627.1
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'Bi2 Cu3 O16 Sr5'
 to 'C2 Bi2 Cu3 O16 Sr5'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1001571
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,y,-z
-x,-y,z
-x,-y,-z
-x,y,z
x,-y,z
x,y,-z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
x,1/2-y,1/2-z
1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
x,1/2+y,1/2-z
1/2+x,y,1/2-z
1/2+x,1/2+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Bi1 Bi3+ 8 i 0. 0. 0.221 1. 0 d
Sr1 Sr2+ 8 i 0. 0. 0.671 0.833 0 d
Sr2 Sr2+ 8 i 0. 0. 0.604 0.833 0 d
Sr3 Sr2+ 8 i 0. 0. 0.534 0.833 0 d
Cu1 Cu3+ 8 i 0. 0. 0.137 1. 0 d
Cu2 Cu3+ 4 a 0. 0. 0. 1. 0 d
C1 C4+ 8 i 0. 0. 0.069 1. 0 d
O1 O2- 8 i 0. 0. 0.721 1. 0 d
O2 O2- 8 i 0. 0. 0.171 1. 0 d
O3 O2- 8 i 0. 0. 0.104 1. 0 d
O4 O2- 8 i 0. 0. 0.034 1. 0 d
O5 O2- 16 j 0.25 0.25 0.137 1. 0 d
O6 O2- 8 e 0.25 0.25 0. 1. 0 d
O7 O2- 32 p 0.17 0.17 0.069 0.25 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3.000
Sr2+ 2.000
Cu3+ 2.670
C4+ 4.000
O2- -2.000
