#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/02/1000285.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_1000285
loop_
_publ_author_name
'Hervieu, M'
'Michel, C'
'Domenges, B'
'Laligant, Y'
'Lebail, A'
'Ferey, G'
'Raveau, B'
_publ_section_title
;
Electron microscopy study of the superconductor "Bi₂ Sr₂ Ca Cu₂
O₈"
;
_journal_coden_ASTM              MPLBET
_journal_name_full               'Modern Physics Letters B'
_journal_page_first              491
_journal_page_last               500
_journal_paper_doi               10.1142/S0217984988000060
_journal_volume                  2
_journal_year                    1988
_chemical_formula_structural     'Bi2 Sr2 Ca Cu2 O8'
_chemical_formula_sum            'Bi2 Ca Cu2 O8 Sr2'
_chemical_name_systematic
;
Dibismuth distrontium calcium dicopper oxide
;
_space_group_IT_number           66
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   5.4054
_cell_length_b                   5.4016
_cell_length_c                   30.7152
_cell_volume                     896.8
_refine_ls_R_factor_all          0.08
_cod_database_code               1000285
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
1/2-x,y,-z
1/2-x,-y,z
-x,-y,-z
-x,y,z
1/2+x,-y,z
1/2+x,y,-z
x,1/2+y,1/2+z
x,1/2-y,1/2-z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
-x,1/2-y,1/2-z
-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2+z
1/2+x,1/2+y,1/2-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
Bi1 0.054 0. 0. 0.008 0. 0.033
Sr1 0.095 0. 0. 0.01 0. 0.068
Cu1 0. 0. 0. 0. 0. 0.096
Ca1 0.099 0. 0. 0.03 0. 0.158
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+ 16 m 0.052(3) 0.2745(7) 0.0524(2) 0.5 0 d
Sr1 Sr2+ 8 l 0. 0.75 0.3597(4) 1. 0 d
Cu1 Cu2+ 8 l 0.5 0.75 0.3033(6) 1. 0 d
Ca1 Ca2+ 4 f 0.5 0.25 0.25 1. 0 d
O1 O2- 8 h 0.75 0. 0.201(5) 1. 0 d
O2 O2- 8 h 0.25 0.5 0.201(5) 1. 0 d
O3 O2- 8 l 0. 0.25 0.385(2) 1. 0 d
O4 O2- 8 l 0.5 0.27 0.0524 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3.000
Sr2+ 2.000
Cu2+ 2.000
Ca2+ 2.000
O2- -2.000
