#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/00/1540008.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_1540008
loop_
_publ_author_name
'Zyryanov, V.V.'
_publ_section_title
;
 Structure and thermal behavior of metastable sillenites obtainedby
 mechanosynthesis
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              480
_journal_page_last               490
_journal_volume                  45
_journal_year                    2004
_chemical_formula_sum            'Bi4.11 Hg1.01 O7.17'
_space_group_IT_number           197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            5
_cell_length_a                   10.209
_cell_length_b                   10.209
_cell_length_c                   10.209
_cell_volume                     1064.020
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Zyryanov_ZSTKAI_2004_576.cif
_cod_data_source_block           Bi4.11Hg1.01O7.17
_cod_original_cell_volume        1064.019
_cod_database_code               1540008
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
z,x,y
-z,-x,y
z,-x,-y
-z,x,-y
y,z,x
y,-z,-x
-y,z,-x
-y,-z,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
-z+1/2,-x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,z+1/2,-x+1/2
-y+1/2,-z+1/2,x+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 0.117 0.117 0.117 0.6 0.0
Hg1 Hg+2 0.182 0.315 0.017 0.21 0.0
Bi2 Bi+3 0.017 0.017 0.017 0.2 0.0
O2 O-2 0.19 0.19 0.19 1 0.0
Bi1 Bi+3 0.182 0.315 0.017 0.79 0.0
O1 O-2 0.128 0.27 0.5 0.96 0.0
