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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/71/1007180.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_1007180
loop_
_publ_author_name
'Masse, R'
'Tordjman, I'
'Durif, A'
_publ_section_title
;
Etude structurale d'un sous-oxyde d'argent bismuth Bi~4~ Ag~18~ O~12~
;
_journal_coden_ASTM              CHDCAQ
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              631
_journal_page_last               633
_journal_volume                  302
_journal_year                    1986
_chemical_formula_structural     'Bi4 Ag18 O12'
_chemical_formula_sum            'Ag18 Bi4 O12'
_chemical_name_systematic        'Bismuth silver oxide (4/18/12)'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.630(4)
_cell_length_b                   14.229(5)
_cell_length_c                   23.91(3)
_cell_volume                     3616.5
_refine_ls_R_factor_all          0.057
_cod_database_code               1007180
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,y,1/2-z
x,-y,1/2+z
-x,-y,-z
-x,y,z
-x,-y,1/2+z
-x,y,1/2-z
1/2+x,1/2+y,z
1/2+x,1/2-y,-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,-z
1/2-x,1/2+y,z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Bi1 Bi3+ 16 h 0.18925(8) 0.87282(6) 0.12334(3) 1. 0 d
Ag1 Ag1+ 16 h 0.2602(2) 0.6209(2) 0.15190(9) 1. 0 d
Ag2 Ag1+ 8 g 0.1934(4) 0.4721(2) 0.25 1. 0 d
Ag3 Ag1+ 8 f 0. 0.4794(2) 0.15291(14) 1. 0 d
Ag4 Ag1+ 8 g 0.2079(4) 0.2692(2) 0.25 1. 0 d
Ag5 Ag1+ 8 f 0. 0.2708(2) 0.15862(15) 1. 0 d
Ag6 Ag1+ 8 f 0. 0.3635(3) 0.05124(12) 1. 0 d
Ag7 Ag1+ 8 e 0.2797(4) 0. 0. 1. 0 d
Ag8 Ag1+ 8 d 0.25 0.25 0. 1. 0 d
O1 O2- 16 h 0.198(2) 0.272(1) 0.1623(9) 1. 0 d
O2 O2- 16 h 0.199(2) 0.373(1) 0.0511(7) 1. 0 d
O3 O2- 16 h 0.199(2) 0.477(1) 0.1603(9) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3.000
Ag1+ 0.670
O2- -2.000