#------------------------------------------------------------------------------
#$Date: 2015-07-12 15:43:25 +0200 (dom 12 de jul de 2015) $
#$Revision: 146552 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/12/7221271.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_7221271
loop_
_publ_author_name
'Abrahams, I.'
'Bush, A.J.'
'Chan, S.C.M.'
'Krok, F.'
'Wrobel, W.'
_publ_section_title
;
 Stabilisation and characterisation of a new betaIII-phase in Zr-doped Bi2
 O3
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1715
_journal_page_last               1721
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'Bi1.85 O3.075 Zr0.15'
_chemical_name_systematic        '(Bi1.85 Zr0.15) O3.075'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7206
_cell_length_b                   7.7206
_cell_length_c                   5.637
_cell_volume                     336.008
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Abrahams_JMACEP_2001_1399.cif
_cod_data_source_block           Bi1.85O3.075Zr0.15
_cod_original_cell_volume        336.0084
_cod_database_code               7221271
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z+1/2
-x+1/2,-y+1/2,z
y,-x+1/2,z+1/2
x+1/2,-y,-z
y+1/2,x+1/2,-z+1/2
-x,y+1/2,-z
-y,-x,-z+1/2
-x,-y,-z
y-1/2,-x,-z-1/2
x-1/2,y-1/2,-z
-y,x-1/2,-z-1/2
-x-1/2,y,z
-y-1/2,-x-1/2,z-1/2
x,-y-1/2,z
y,x,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
O3 O-2 0.25 0.75 0.206 0.075 0.0
Zr1 Zr+4 0.25 0.026 0.04 0.075 0.0
O2 O-2 0.4611 -0.063 0.7773 0.5 0.0
O1 O-2 0.25 0.25 0.8531 1 0.0
Bi1 Bi+3 0.25 0.0025 0.0097 0.925 0.0
