#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/71/1007100.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_1007100
_chemical_name_systematic          'Silver divanadate'
_chemical_formula_structural       'Ag4 V2 O7'
_chemical_formula_sum              'Ag4 O7 V2'
_publ_section_title
;
Chemical Preparation and Crystal Structure of Silver Pyrovanadate,
Ag~4~ V~2~ O~7~
;
loop_
_publ_author_name
  'Masse, R'
  'Averbuch-Pouchot, M T'
  'Durif, A'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    39
_journal_year                      1983
_journal_page_first                1608
_journal_page_last                 1610
_cell_length_a                     18.820(4)
_cell_length_b                     10.89(3)
_cell_length_c                     13.925(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       2853.9
_cell_formula_units_Z              16
_symmetry_space_group_name_H-M     'P b c a'
_symmetry_Int_Tables_number        61
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,z'
  'x,1/2-y,1/2+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
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 c 0.91764(8) 0.0091(1) 0.8854(1) 1.  0 d
  Ag2   Ag1+   8 c 0.91647(8) 0.0018(1) 0.1235(1) 1.  0 d
  Ag3   Ag1+   8 c 0.17329(8) 0.2228(1) 0.8989(1) 1.  0 d
  Ag4   Ag1+   8 c 0.17061(7) 0.7515(1) 0.1221(7) 1.  0 d
  Ag5   Ag1+   8 c 0.83549(8) 0.2493(2) 0.6295(1) 1.  0 d
  Ag6   Ag1+   8 c 0.33895(8) 0.7488(2) 0.6576(1) 1.  0 d
  Ag7   Ag1+   8 c 0.08983(8) 0.4991(1) 0.1409(1) 1.  0 d
  Ag8   Ag1+   8 c 0.08592(8) 0.5090(1) 0.8697(1) 1.  0 d
  V1    V5+    8 c 0.2570(1) 0.9858(2) 0.7507(2) 1.  0 d
  V2    V5+    8 c 0.2579(2) -0.0174(2) 0.0166(2) 1.  0 d
  V3    V5+    8 c -0.0012(2) 0.7554(2) 0.7291(2) 1.  0 d
  V4    V5+    8 c 0.4981(2) 0.2549(3) 0.4968(2) 1.  0 d
  O1    O2-    8 c 0.2105(6) 0.468(1) 0.6220(9) 1.  0 d
  O2    O2-    8 c 0.3240(7) 0.415(1) 0.7400(8) 1.  0 d
  O3    O2-    8 c 0.1786(7) 0.095(1) 0.3055(9) 1.  0 d
  O4    O2-    8 c 0.2584(7) 0.356(1) 0.2619(9) 1.  0 d
  O5    O2-    8 c 0.1653(7) 0.565(1) 0.0067(9) 1.  0 d
  O6    O2-    8 c 0.2729(7) 0.828(1) 0.0289(9) 1.  0 d
  O7    O2-    8 c 0.4175(6) 0.321(1) -0.0078(9) 1.  0 d
  O8    O2-    8 c 0.0003(7) 0.168(1) 0.3886(8) 1.  0 d
  O9    O2-    8 c 0.0749(7) 0.832(1) 0.2320(8) 1.  0 d
  O10   O2-    8 c -0.0009(9) 0.873(1) 0.8074(9) 1.  0 d
  O11   O2-    8 c 0.4217(7) 0.672(1) 0.7667(8) 1.  0 d
  O12   O2-    8 c 0.4306(7) 0.841(1) 0.5031(10) 1.  0 d
  O13   O2-    8 c 0.0049(8) 0.368(1) 0.0846(10) 1.  0 d
  O14   O2-    8 c 0.2911(8) 0.990(1) 0.4182(10) 1.  0 d
_refine_ls_R_factor_all            0.048
_cod_database_code 1007100