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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/92/1539227.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_1539227
loop_
_publ_author_name
'Schneemeyer, L.F.'
'Thomas, J.K.'
'Siegrist, T.'
'Batlogg, B.'
'Rupp, L.W.jr.'
'Murphy, D.W.'
'Cava, R.J.'
'Opila, R.L.'
_publ_section_title
;
 Growth and structural characterization of superconducting Ba1-x Kx Bi O3
 Single Crystals
;
_journal_name_full               'Nature (London)'
_journal_page_first              421
_journal_page_last               423
_journal_volume                  335
_journal_year                    1988
_chemical_formula_sum            'Ba0.96 Bi K0.04 O3'
_chemical_name_systematic        'Ba.96 K.04 Bi O3'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1298
_cell_length_b                   6.1374
_cell_length_c                   8.6628
_cell_volume                     325.903
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Schneemeyer_NATUAS_1988_1691.cif
_cod_data_source_block           Ba0.96Bi1K0.04O3
_cod_original_cell_volume        325.9035
_cod_original_formula_sum        'Ba0.96 Bi1 K0.04 O3'
_cod_database_code               1539227
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+1/2,-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+1/2,-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+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
K1 K+1 0 0.5 0.25295 0.04 0.0
Bi1 Bi+3 0 0 0 1 0.0
O2 O-2 0 0 0.244 1 0.0
Bi2 Bi+5 0.5 0.5 0 1 0.0
Ba1 Ba+2 0 0.5 0.25295 0.96 0.0
O1 O-2 0.26 0.254 0 1 0.0
