#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/50/97/1509758.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_1509758
loop_
_publ_author_name
'Bortz, M.'
'Jansen, M.'
_publ_section_title
;
 Ag25Bi3O18, eine potentiell valenzinstabile Bi(III)/ Bi(V) - Verbindung
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              841
_journal_page_last               842
_journal_volume                  103
_journal_year                    1991
_chemical_formula_sum            'Ag25 Bi3 O18'
_chemical_name_systematic        'Ag25 Bi2 Bi O18'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   11.5887
_cell_length_b                   11.5887
_cell_length_c                   6.2386
_cell_volume                     725.583
_citation_journal_id_ASTM        ANCEAD
_cod_data_source_file            silver2-3_235.cif
_cod_data_source_block           Ag25Bi3O18
_cod_original_cell_volume        725.5832
_cod_database_code               1509758
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
Ag5 Ag+1 0.5 0 0.5 1 0.0
Ag1 Ag+1 0.5 0 0 1 0.0
O3 O-2 0.18582 0.51324 0.45593 1 0.0
O2 O-2 0.10065 0.17122 0.6999 1 0.0
Ag3 Ag+1 0.31006 0.2506 0.65559 1 0.0
Ag6 Ag+1 0 0 0 1 0.0
Ag2 Ag+1 0.24912 0.26084 0.14973 1 0.0
O1 O-2 0.30748 0.46016 0.06485 1 0.0
Bi1 Bi+3 0.3333 0.6667 0.23926 1 0.0
Bi2 Bi+5 0 0 0.5 1 0.0
Ag4 Ag+1 0.48338 0.23058 0.24704 1 0.0
