#------------------------------------------------------------------------------
#$Date: 2015-09-04 18:19:59 +0300 (Fri, 04 Sep 2015) $
#$Revision: 154123 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/96/1529642.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_1529642
loop_
_publ_author_name
'Blower, S.K.'
'Greaves, C.'
_publ_section_title
;
 A neutron diffraction study of Ca0.176 Bi0.824 O1.412
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              765
_journal_page_last               772
_journal_volume                  23
_journal_year                    1988
_chemical_formula_sum            'Bi0.8 Ca0.2 O1.19'
_chemical_name_systematic        'Ca0.2 Bi0.8 O1.19'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   3.94
_cell_length_b                   3.94
_cell_length_c                   27.85
_cell_volume                     374.411
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Blower_MRBUAC_1988_1754.cif
_cod_data_source_block           Bi0.8Ca0.2O1.19
_cod_original_cell_volume        374.4107
_cod_database_code               1529642
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Ca1 Ca+2 0 0 0 0.6 0.0
Bi1 Bi+2 0 0 0 0.4 0.0
O1 O-2 0 0 0.133 0.1 0.0
O2 O-2 0 0 0.3 1 0.0
Bi2 Bi+2 0 0 0.2287 1 0.0
O3 O-2 0 0 0.446 0.68 0.0
