#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/57/1525709.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_1525709
loop_
_publ_author_name
'Braden, M.'
'Reichardt, W.'
'Lauriat, J.P.'
'Elkaim, E.'
'Shiryaev, S.'
'Barilo, S.N.'
_publ_section_title
;
 Structural distortion in superconducting Ba1-x Kx Bi O3
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              6708
_journal_page_last               6715
_journal_volume                  62
_journal_year                    2000
_chemical_formula_sum            'Ba0.63 Bi K0.37 O3'
_chemical_name_systematic        '(Ba0.63 K0.37) (Bi O3)'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.304
_cell_length_b                   4.304
_cell_length_c                   4.304
_cell_volume                     79.729
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Braden_PRBMDO_2000_508.cif
_cod_data_source_block           Ba0.63Bi1K0.37O3
_cod_original_cell_volume        79.72908
_cod_original_formula_sum        'Ba0.63 Bi1 K0.37 O3'
_cod_database_code               1525709
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
-y,z,-x
-z,-y,-x
-y,-z,x
z,-y,x
-z,y,x
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
-z,-x,-y
x,-z,-y
z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
y,z,-x
-z,y,-x
z,-y,-x
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
Bi1 Bi+3 0 0 0 0.315 0.0
Bi2 Bi+5 0 0 0 0.685 0.0
K1 K+1 0.5 0.5 0.5 0.38 0.0
O1 O-2 0 0 0.5 1 0.0
Ba1 Ba+2 0.5 0.5 0.5 0.62 0.0
