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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/11/1541115.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_1541115
loop_
_publ_author_name
'Pei, S.'
'Jorgensen, J.D.'
'Hinks, D.G.'
'Jacobson, A.J.'
'Richards, D.R.'
'Mitchell, A.W.'
'Dabrowski, B.'
'Newsam, J.M.'
'Vaknin, D.'
'Sinha, S.K.'
_publ_section_title
;
 Structural phase diagram of the Ba1-x Kx Bi O3 system
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              4126
_journal_page_last               4141
_journal_volume                  41
_journal_year                    1990
_chemical_formula_sum            'Ba0.93 Bi K0.07 O3'
_chemical_name_systematic        '(Ba0.93 K0.07) (Bi O3)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                60.143
_cell_angle_beta                 60.143
_cell_angle_gamma                60.143
_cell_formula_units_Z            2
_cell_length_a                   6.1423
_cell_length_b                   6.1423
_cell_length_c                   6.1423
_cell_volume                     164.393
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Pei_PRBMDO_1990_1890.cif
_cod_data_source_block           Ba0.93Bi1K0.07O3
_cod_original_cell_volume        164.3927
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Ba0.93 Bi1 K0.07 O3'
_cod_database_code               1541115
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
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 1 0.0
O1 O-2 -0.24 0.212 0.282 0.5 0.0
Bi2 Bi+5 0.5 0.5 0.5 1 0.0
K1 K+1 0.251 0.251 0.251 0.07 0.0
Ba1 Ba+2 0.251 0.251 0.251 0.93 0.0
