#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/37/1533746.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_1533746
loop_
_publ_author_name
'Steinfink, H.'
'Lynch, V.'
_publ_section_title
;
 The crystal structure of a bismuth - transition metal phosphate Bi6 Ti P2
 O16
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1412
_journal_page_last               1415
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Bi6.154 O16 P2 Ti0.846'
_chemical_name_systematic        'Bi6.154 Ti0.846 O8 (P O4)2'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.13
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.233
_cell_length_b                   5.4096
_cell_length_c                   11.233
_cell_volume                     679.851
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Steinfink_JSSCBI_2004_1665.cif
_cod_data_source_block           Bi6.154O16P2Ti0.846
_cod_original_cell_volume        679.8506
_cod_original_sg_symbol_Hall     'C 2y (x,y,-x+z)'
_cod_database_code               1533746
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
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
Bi4 Bi+3 0 -0.0386 0 0.154 0.0
O3 O-2 0.152 0.217 0.329 1 0.0
O6 O-2 0.635 -0.07 0.228 1 0.0
Bi1 Bi+3 0.3313 -0.032 0.0086 1 0.0
O7 O-2 0.067 0.214 0.894 1 0.0
O8 O-2 0.859 -0.083 -0.09 1 0.0
O9 O-2 -0.06 0.675 0.112 1 0.0
O5 O-2 0.257 0.452 -0.071 1 0.0
Bi2 Bi+3 0.826 0.5103 0.838 1 0.0
P1 P+5 0.1326 0.456 0.8585 1 0.0
Bi3 Bi+3 0.0107 -0.0306 0.6625 1 0.0
Ti1 Ti+4 0 -0.0386 0 0.846 0.0
O1 O-2 0 0.731 0.5 1 0.0
O2 O-2 0 0.227 0.5 1 0.0
O4 O-2 0.35 0.218 0.174 1 0.0
