#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008168.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_1008168
_chemical_name_systematic          'Silver hydrogenphosphate'
_chemical_formula_structural       'Ag2 H P O4'
_chemical_formula_sum              'H Ag2 O4 P'
_publ_section_title                'Structure de l'Hydrogenophosphate D'Argent'
loop_
_publ_author_name
  'Tordjman, I'
  'Boudjada, A'
  'Guitel, J C'
  'Masse, R'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    34
_journal_year                      1978
_journal_page_first                3723
_journal_page_last                 3725
_cell_length_a                     6.190(2)
_cell_length_b                     6.190(2)
_cell_length_c                     9.015(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       299.1
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'P 31 1 2'
_symmetry_Int_Tables_number        151
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,1/3+z'
  'y-x,-x,2/3+z'
  'x,x-y,-z'
  '-y,-x,2/3-z'
  'y-x,y,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ag1+   1.000
  P5+    5.000
  O2-   -2.000
  H1+    1.000
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
  Ag1   Ag1+   3 a -0.0818(1) 0.0818(1) 0.3333 1.  0 d
  Ag2   Ag1+   3 a 0.2051(1) -0.2051(1) 0.3333 1.  0 d
  P1    P5+    3 a 0.5087(3) -0.5087(3) 0.3333 1.  0 d
  O1    O2-    6 c 0.2667(1) 0.4123(1) 0.4147(1) 1.  0 d
  O2    O2-    6 c 0.4609(1) 0.2750(1) 0.2247(1) 1.  0 d
  H1    H1+    3 a 0.62 1.24 0.1667 1.  0 d
_refine_ls_R_factor_all            0.052