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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007165.cif $
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#
# 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_1007165
_chemical_name_systematic          'Bismuth silver oxide (4/18/12)'
_chemical_formula_structural       'Bi4 Ag18 O12'
_chemical_formula_sum              'Ag18 Bi4 O12'
_publ_section_title
;
Etude structurale d'un sous-oxyde d'argent bismuth Bi~4~ Ag~18~ O~12~.
;
loop_
_publ_author_name
  'Masse, R'
  'Tordjman, I'
  'Durif, A'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie 2 (1984-1993)
;
_journal_coden_ASTM                CRAMED
_journal_volume                    9
_journal_year                      1986
_journal_page_first                631
_journal_page_last                 633
_cell_length_a                     10.630(4)
_cell_length_b                     14.229(5)
_cell_length_c                     23.91(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       3616.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C m c m'
_symmetry_Int_Tables_number        63
_symmetry_cell_setting             orthorhombic
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_type_symbol
_atom_type_oxidation_number
  Bi2+   1.500
  Ag1+   1.000
  O2-   -2.000
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   Bi2+  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
_refine_ls_R_factor_all            0.057