#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104133.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_8104133
loop_
_publ_author_name
'Eggenweiler, U.'
'Ketterer, J.'
'Keller, E.'
'Kraemer, V.'
_publ_section_title
;
 The crystal structure of alpha-Bi5 O7 I
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              230
_journal_page_last               233
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'Bi5 I O7'
_chemical_name_systematic        'Bi5 O7 I'
_space_group_IT_number           73
_symmetry_space_group_name_Hall  '-I 2b 2c'
_symmetry_space_group_name_H-M   'I b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.265
_cell_length_b                   5.3439
_cell_length_c                   23.02
_cell_volume                     2000.865
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Eggenweiler_ZEKRDZ_2001_71.cif
_cod_data_source_block           Bi5I1O7
_cod_original_formula_sum        'Bi5 I1 O7'
_cod_database_code               8104133
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z
x,-y,-z+1/2
-x,y+1/2,-z+1/2
-x,-y,-z
x,y-1/2,-z
-x,y,z-1/2
x,-y-1/2,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-y,z
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 0.2092 0.34 0.1971 1 0.0
Bi3 Bi+3 0.16921 0.71973 0.18893 1 0.0
O2 O-2 0.25 0.486 0 1 0.0
O4 O-2 0.1822 0.691 0.0985 1 0.0
Bi1 Bi+3 0 0.75 0.04952 1 0.0
Bi2 Bi+3 0.17616 0.27347 0.06042 1 0.0
O1 O-2 0.0795 0.476 0.0041 1 0.0
I1 I-1 0 0.25 0.16134 1 0.0
