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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007207.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_1007207
_chemical_name_systematic          'Silver dihydrogendiphosphate'
_chemical_formula_structural       'Ag2 (H2 P2 O7)'
_chemical_formula_sum            'Ag2 H2 O7 P2'
_[local]_cod_chemical_formula_sum_orig 'H2 Ag2 O7 P2'
_publ_section_title
;
Crystal structure of silver-dihydrogeno-diphospate: Ag~2~H~2~P~2~O~7~
;
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_[local]_cod_cif_authors_sg_H-M  'F d d d Z'
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    29
_journal_year                      1992
_journal_page_first                993
_journal_page_last                 999
_cell_length_a                     27.779(20)
_cell_length_b                     12.385(6)
_cell_length_c                     7.026(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       2417.2
_cell_formula_units_Z              16
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/4-y,1/4-z'
  '1/4-x,y,1/4-z'
  '1/4-x,1/4-y,z'
  '-x,-y,-z'
  '-x,3/4+y,3/4+z'
  '3/4+x,-y,3/4+z'
  '3/4+x,3/4+y,-z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  'x,3/4-y,3/4-z'
  '1/2+x,1/4-y,3/4-z'
  '1/2+x,3/4-y,1/4-z'
  '1/4-x,1/2+y,3/4-z'
  '3/4-x,y,3/4-z'
  '3/4-x,1/2+y,1/4-z'
  '1/4-x,3/4-y,1/2+z'
  '3/4-x,1/4-y,1/2+z'
  '3/4-x,3/4-y,z'
  '-x,1/2-y,1/2-z'
  '1/2-x,-y,1/2-z'
  '1/2-x,1/2-y,-z'
  '-x,1/4+y,1/4+z'
  '1/2-x,3/4+y,1/4+z'
  '1/2-x,1/4+y,3/4+z'
  '3/4+x,1/2-y,1/4+z'
  '1/4+x,-y,1/4+z'
  '1/4+x,1/2-y,3/4+z'
  '3/4+x,1/4+y,1/2-z'
  '1/4+x,3/4+y,1/2-z'
  '1/4+x,1/4+y,-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+  32 h 0.42455(2) 0.26780(4) 0.52474(6) 1.  0 d
  P1    P5+   32 h 0.94754(4) 0.01972(9) 0.7169(2) 1.  0 d
  O1    O2-   16 e 0.4713(2) 0.125 0.125 1.  0 d
  O2    O2-   32 h 0.5079(1) 0.2061(3) 0.5262(6) 1.  0 d
  O3    O2-   32 h 0.3311(1) 0.0564(3) 0.3568(5) 1.  0 d
  O4    O2-   32 h 0.1664(1) 0.7153(3) -0.07320(5) 1.  0 d
  H1    H1+   16 e 0.012(6) 0.125 0.125 1.  0 d
  H2    H1+   16 f 0.125 0.95(5) 0.125 1.  0 d
_refine_ls_R_factor_all            0.036
_cod_database_code 1007207