#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1001649.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_1001649
_chemical_name_systematic
;
Silver divanadium(III) phosphate(V) diphosphate(V)
;
_chemical_formula_structural       'Ag (V2 (P O4) (P2 O7))'
_chemical_formula_sum              'Ag O11 P3 V2'
_publ_section_title
;
A V(III) phosphate built up from bioctahedral V2 O10 units: Ag V2 (P
O4) P2 O7
;
loop_
_publ_author_name
  'Grandin, A'
  'Leclaire, A'
  'Borel, M M'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    115
_journal_year                      1995
_journal_page_first                521
_journal_page_last                 524
_cell_length_a                     11.546(1)
_cell_length_b                     8.548(1)
_cell_length_c                     8.779(1)
_cell_angle_alpha                  90
_cell_angle_beta                   114.39(1)
_cell_angle_gamma                  90
_cell_volume                       789.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ag1+   1.000
  V3+    3.000
  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
  Ag1   Ag1+   8 f 0.24953(4) 0.23351(5) 0.00917(4) 0.5  0 d
  V1    V3+    8 f 0.37502(1) 0.26201(2) 0.45937(2) 1.  0 d
  P1    P5+    4 e 0.5 0.45819(5) 0.25 1.  0 d
  P2    P5+    8 f 0.11174(2) 0.43723(3) 0.21437(3) 1.  0 d
  O1    O2-    8 f 0.39983(7) 0.3524(1) 0.2726(1) 1.  0 d
  O2    O2-    8 f 0.42887(9) 0.4448(1) 0.5941(1) 1.  0 d
  O3    O2-    8 f 0.55375(8) 0.1706(1) 0.5652(1) 1.  0 d
  O4    O2-    8 f 0.31348(7) 0.0714(1) 0.3104(1) 1.  0 d
  O5    O2-    8 f 0.18852(7) 0.3434(1) 0.3751(1) 1.  0 d
  O6    O2-    4 e 0. 0.5151(1) 0.25 1.  0 d
_refine_ls_R_factor_all            0.022
_cod_database_code 1001649