#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001566.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_1001566
_chemical_name_systematic
;
Silver tecto-vanadato(IV)vanadatodiphosphate
;
_chemical_formula_structural       'Ag (V2 P2 O10)'
_chemical_formula_sum              'Ag O10 P2 V2'
_publ_section_title
;
A mixed valent vanadium phosphate closely related to BaV~2~P~2~O~10~:
AgV~2~P~2~O~10~
;
loop_
_publ_author_name
  'Grandin, A'
  'Chardon, J'
  'Borel, M M'
  'Leclaire, A'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    104
_journal_year                      1993
_journal_page_first                226
_journal_page_last                 231
_cell_length_a                     5.256(1)
_cell_length_b                     8.117(1)
_cell_length_c                     16.966(1)
_cell_angle_alpha                  90
_cell_angle_beta                   91.46(1)
_cell_angle_gamma                  90
_cell_volume                       723.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ag1+   1.000
  V4+    4.000
  V5+    5.000
  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+   4 e 0.07526(5) 0.20627(3) 0.18857(2) 1.  0 d
  V1    V4+    4 e 0.14413(8) 0.86962(6) 0.06988(3) 1.  0 d
  V2    V5+    4 e 0.46419(9) 0.03216(6) 0.35275(3) 1.  0 d
  P1    P5+    4 e 0.3664(1) 0.26446(8) 0.01677(4) 1.  0 d
  P2    P5+    4 e 0.3564(1) 0.42347(8) 0.31759(4) 1.  0 d
  O1    O2-    4 e 0.1727(4) 0.6911(3) 0.1095(1) 1.  0 d
  O2    O2-    4 e 0.8632(4) 0.8546(3) -0.0134(1) 1.  0 d
  O3    O2-    4 e 0.8820(4) 0.9710(3) 0.1386(1) 1.  0 d
  O4    O2-    4 e 0.3837(4) 0.8271(3) -0.0141(1) 1.  0 d
  O5    O2-    4 e 0.3988(4) 0.9799(3) 0.1413(1) 1.  0 d
  O6    O2-    4 e 0.2285(4) -0.0757(3) 0.3237(2) 1.  0 d
  O7    O2-    4 e 0.3582(4) 0.2360(3) 0.3028(1) 1.  0 d
  O8    O2-    4 e 0.6749(4) 0.0052(3) 0.2649(1) 1.  0 d
  O9    O2-    4 e 0.6566(4) 0.8633(3) 0.4057(1) 1.  0 d
  O10   O2-    4 e 0.3416(4) 0.1103(3) 0.4478(1) 1.  0 d
_refine_ls_R_factor_all            0.028
_cod_database_code 1001566