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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007026.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_1007026
_chemical_name_systematic          'SILVER CYCLO-TRIPHOSPHATE HYDRATE'
_chemical_formula_structural       'AG3 P3 O9 H2 O'
_chemical_formula_sum            'Ag3 H2 O10 P3'
_[local]_cod_chemical_formula_sum_orig 'H2 Ag3 O10 P3'
_publ_section_title
;
Structure cristalline du trimetaphosphate d'argent monohydrate, Ag~3~
P~3~ O~9~ H~2~ O
;
loop_
_publ_author_name
  'Bagieu-Beucher, M'
  'Durif, A'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    31
_journal_year                      1975
_journal_page_first                2264
_journal_page_last                 2267
_cell_length_a                     7.800(5)
_cell_length_b                     7.796(5)
_cell_length_c                     9.276(5)
_cell_angle_alpha                  115.15(5)
_cell_angle_beta                   115.15(5)
_cell_angle_gamma                  88.93(5)
_cell_volume                       453.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-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+   2 i 0.3461(1) 0.0051(1) 0.0649(1) 1.  0 d
  Ag2   Ag1+   2 i 0.0051(1) 0.3463(1) 0.0650(1) 1.  0 d
  Ag3   Ag1+   2 i 0.8183(1) 0.1817(1) 0.500(1) 1.  0 d
  P1    P5+    2 i 0.7122(3) 0.4463(3) 0.2754(3) 1.  0 d
  P2    P5+    2 i 0.4464(3) 0.7119(3) 0.2755(3) 1.  0 d
  P3    P5+    2 i 0.7947(3) 0.7950(3) 0.5983(3) 1.  0 d
  O1    O2-    2 i 0.5024(8) 0.5023(8) 0.2086(8) 1.  0 d
  O2    O2-    2 i 0.7985(8) 0.5749(8) 0.4916(7) 1.  0 d
  O3    O2-    2 i 0.5719(8) 0.7978(8) 0.4916(7) 1.  0 d
  O4    O2-    2 i 0.8297(10) 0.5153(10) 0.2129(9) 1.  0 d
  O5    O2-    2 i 0.6851(9) 0.2397(8) 0.2368(8) 1.  0 d
  O6    O2-    2 i 0.5149(9) 0.8301(9) 0.2118(8) 1.  0 d
  O7    O2-    2 i 0.2394(9) 0.6839(9) 0.2362(8) 1.  0 d
  O8    O2-    2 i 0.8350(9) 0.8347(9) 0.7819(8) 1.  0 d
  O9    O2-    2 i 0.9159(9) 0.9161(9) 0.5754(8) 1.  0 d
  O10   O2-    2 i 0.8145(9) 0.8148(9) 0.0925(8) 1.  0 d
  H1    H1+    2 i -1. -1. -1. 2.  0 dum
_refine_ls_R_factor_all            0.048
_cod_database_code 1007026
_journal_paper_doi 10.1107/S0567740875007364