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#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007229.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_1007229
_chemical_name_systematic          'Silver catena-vanadate(V) hydrate'
_chemical_formula_structural       'Ag (V O3) (H2 O)'
_chemical_formula_sum            'Ag H2 O4 V'
_[local]_cod_chemical_formula_sum_orig 'H2 Ag O4 V'
_publ_section_title
;
Preparation chimique et structure cristalline d'un polyvanadate
d'argent hydrate: Ag V O3 . H2 O
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M - T'
  'Durif, A'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Ser. II (1994-)
;
_journal_coden_ASTM                CMCAEK
_journal_volume                    319
_journal_year                      1994
_journal_page_first                1319
_journal_page_last                 1324
_cell_length_a                     7.147(2)
_cell_length_b                     3.655(1)
_cell_length_c                     15.763(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       411.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ag1+   1.000
  V5+    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+   4 c 0.4433(1) 0.25 0.59595(6) 1.  0 d
  V1    V5+    4 c 0.8792(2) 0.75 0.55793(9) 1.  0 d
  O1    O2-    4 c 0.8580(8) 0.25 0.0511(4) 1.  0 d
  O2    O2-    4 c 0.0839(8) 0.75 0.4720(4) 1.  0 d
  O3    O2-    4 c 0.439(1) 0.75 0.8418(4) 1.  0 d
  O4    O2-    4 c 0.768(1) 0.25 0.7940(5) 1.  2 d
  H1    H1+    8 d 0.78(1) 0.06(3) 0.762(7) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Ag1   0.0368(4) 0. 0.0133(4) 0.0745(8) 0. 0.0418(4)
  V1    0.0137(4) 0. 0.0032(5) 0.0074(3) 0. 0.0144(4)
  O1    0.013(2) 0. -0.005(3) 0.020(2) 0. 0.038(3)
  O2    0.025(3) 0. 0.012(2) 0.006(2) 0. 0.031(3)
  O3    0.030(3) 0. 0.005(2) 0.034(4) 0. 0.016(2)
  O4    0.062(5) 0. -0.001(4) 0.045(5) 0. 0.045(4)
_refine_ls_R_factor_all            0.037