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#$Date: 2018-07-07 03:59:37 +0200 (Sat 07 de Jul de 2018) $
#$Revision: 208902 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/15/1001583.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_1001583
loop_
_publ_author_name
'Pelloquin, D'
'Caldes, M'
'Maignan, A'
'Michel, C'
'Hervieu, M'
'Raveau, B'
_publ_section_title
;
The bismuth oxycarbonate Bi₂Sr₄Cu₂CO₃O₈. A new superconductor
with a Tc of 30K
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              121
_journal_page_last               129
_journal_paper_doi               10.1016/0921-4534(93)90678-J
_journal_volume                  208
_journal_year                    1993
_chemical_formula_structural     'Bi2 Sr4 Cu2 (C O3) O8'
_chemical_formula_sum            'C Bi2 Cu2 O11 Sr4'
_chemical_name_systematic
;
Dibismuth tetrastrontium dicopper carbonate oxide
;
_space_group_IT_number           67
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      67
_symmetry_space_group_name_Hall  '-A 2b 2b'
_symmetry_space_group_name_H-M   'A b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.466(2)
_cell_length_b                   5.460(2)
_cell_length_c                   39.500(9)
_cell_volume                     1178.9
_refine_ls_R_factor_all          0.13
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'Bi2 Cu2 O11 Sr4'
 to 'C Bi2 Cu2 O11 Sr4'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1001583
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,1/2+y,1/2+z
-x,1/2+y,1/2-z
-x,-y,1/2+z
x,-y,1/2-z
-x,1/2-y,1/2-z
x,1/2-y,1/2+z
x,y,1/2-z
-x,y,1/2+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 m 0.25 0. 0.04 1. 0 d
Sr1 Sr2+ 8 m 0.75 0. 0.109 1. 0 d
Sr2 Sr2+ 8 m 0.75 0. 0.197 1. 0 d
Cu1 Cu2+ 8 m 0.25 0. 0.155 1. 0 d
C1 C4+ 4 g 0.25 0. 0.25 1. 0 d
O1 O2- 8 m 0.75 0. 0.04 1. 0 d
O2 O2- 8 m 0.25 0. 0.1 1. 0 d
O3 O2- 8 h 0. 0.25 0.15 1. 0 d
O4 O2- 8 i 0.5 0.25 0.15 1. 0 d
O5 O2- 8 m 0.25 0. 0.22 0.5 0 d
O6 O2- 4 e 0. 0.25 0.25 0.5 0 d
O7 O2- 4 f 0.5 0.25 0.25 0.5 0 d
O8 O2- 8 o 0.082 0.168 0.25 0.5 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3.000
Sr2+ 2.000
Cu2+ 2.000
C4+ 4.000
O2- -2.000
