#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007029.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_1007029
_chemical_name_systematic          'Silver dimercury(I) phosphate'
_chemical_formula_structural       'Ag Hg2 P O4'
_chemical_formula_sum              'Ag Hg2 O4 P'
_publ_section_title
;
Structure cristalline du monophosphate  Ag Hg~2~ P O~4~. Donnees
cristallographiques sur Ag Hg~2~ As O~4~
;
loop_
_publ_author_name
  'Masse, R'
  'Guitel, J C'
  'Durif, A'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    23
_journal_year                      1978
_journal_page_first                369
_journal_page_last                 373
_cell_length_a                     9.256(2)
_cell_length_b                     8.614(2)
_cell_length_c                     6.152(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       490.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P b a m'
_symmetry_Int_Tables_number        55
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Hg1+   1.000
  Ag1+   1.000
  P5+    5.000
  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
  Hg1   Hg1+   8 i 0.03050(8) 0.25148(15) 0.21180(11) 1.  0 d
  Ag1   Ag1+   4 g 0.3501(3) 0.0292(3) 0. 1.  0 d
  P1    P5+    4 h 0.2857(9) 0.4556(8) 0.5 1.  0 d
  O1    O2-    8 i 0.194(1) 0.050(1) 0.286(2) 1.  0 d
  O2    O2-    4 h 0.132(2) 0.384(2) 0.5 1.  0 d
  O3    O2-    4 h 0.405(2) 0.326(2) 0.5 1.  0 d
_refine_ls_R_factor_all            0.046