#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007036.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_1007036
_chemical_name_systematic
;
Tetraammonium hexahydrogenhexaarsenatotetravanadate tetrahydrate
;
_chemical_formula_structural       '(N H4)4 H6 (As6 V4 O30) (H2 O)4'
_chemical_formula_sum              'H30 As6 N4 O34 V4'
_publ_section_title
;
Structure d'un arsenato vanadate d'ammonium. (N H~4~)~4~ H~6~ (As~6~
V~4~ O~30~) (H~2~ O)~4~
;
loop_
_publ_author_name
  'Durif, A'
  'Averbuch-Pouchot, M T'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    35
_journal_year                      1979
_journal_page_first                1441
_journal_page_last                 1444
_cell_length_a                     14.40(2)
_cell_length_b                     16.31(2)
_cell_length_c                     9.831(5)
_cell_angle_alpha                  90
_cell_angle_beta                   136.29(5)
_cell_angle_gamma                  90
_cell_volume                       1595.5
_cell_formula_units_Z              2
_exptl_crystal_density_meas        2.67
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '-x,-y,-z'
  '-x,y,-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  As5+   5.000
  V5+    5.000
  N3-   -3.000
  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
  As1   As5+   4 i 0.8243(1) 0.5 0.2859(2) 1.  0 d
  As2   As5+   4 h 0. 0.27438(7) 0.5 1.  0 d
  As3   As5+   4 i 0.7519(1) 0. 0.4017(2) 1.  0 d
  V1    V5+    8 j 0.5107(1) 0.9041(1) 0.7670(2) 1.  0 d
  N1    N3-    8 j 0.1507(11) 0.2155(6) 0.227(2) 1.  4 d
  O1    O2-    4 i 0.3039(10) 0.5 0.2949(19) 1.  0 d
  O2    O2-    4 i 0.1100(8) 0. 0.3564(16) 1.  0 d
  O3    O2-    4 i 0.1571(9) 0. 0.1466(17) 1.  0 d
  O4    O2-    8 j 0.3728(7) 0.2837(4) 0.3119(13) 1.  0 d
  O5    O2-    4 i 0.4151(8) 0. 0.5215(15) 1.  0 d
  O6    O2-    4 i 0.4341(8) 0. 0.0986(14) 1.  0 d
  O7    O2-    8 j 0.3445(5) 0.0853(3) 0.2099(11) 1.  0 d
  O8    O2-    8 j 0.0727(6) 0.3260(3) 0.4544(10) 1.  0 d
  O9    O2-    8 j 0.1584(6) 0.4130(4) 0.3257(11) 1.  0 d
  O10   O2-    8 j 0.4194(6) 0.1601(3) 0.0594(11) 1.  0 d
  O11   O2-    8 j 0.4446(9) 0.3606(5) 0.1660(16) 1.  2 d
  H1    H1+    8 j -1. -1. -1. 7.5  0 dum
_refine_ls_R_factor_all            0.041