#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000270.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_1000270
_chemical_name_systematic          'Octathallium 34-oxo-decamolybdate'
_chemical_formula_structural       'Tl8 Mo10 O34'
_chemical_formula_sum              'Mo10 O34 Tl8'
_publ_section_title
;
Isotypism of the triclinic Tl~8~Mo~10~O~34~ and (NH~4~)~8~Mo~10~O~34~
molybdates
;
loop_
_publ_author_name
  'Benchrifa, R'
  'de=Pape, R'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    46
_journal_year                      1990
_journal_page_first                728
_journal_page_last                 728
_cell_length_a                     7.703(5)
_cell_length_b                     10.703(7)
_cell_length_c                     12.216(7)
_cell_angle_alpha                  97.68(5)
_cell_angle_beta                   118.76(5)
_cell_angle_gamma                  99.81(5)
_cell_volume                       842.5
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mo6+   6.000
  O2-   -2.000
  Tl1+   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
  Mo1   Mo6+   2 i 0.1064(3) 0.2390(2) 0.1731(2) 1.  0 d
  Mo2   Mo6+   2 i 0.4802(3) 0.5753(2) 0.2750(2) 1.  0 d
  Mo3   Mo6+   2 i 0.2380(3) 0.4773(2) 0.4244(2) 1.  0 d
  Mo4   Mo6+   2 i 0.6521(3) 0.8184(2) 0.5259(2) 1.  0 d
  Mo5   Mo6+   2 i -0.2237(3) -0.0651(2) 0.1731(2) 1.  0 d
  O1    O2-    2 i 0.119(2) 0.297(1) 0.367(2) 1.  0 d
  O2    O2-    2 i -0.058(3) 0.070(1) 0.150(2) 1.  0 d
  O3    O2-    2 i 0.357(3) 0.177(1) 0.327(2) 1.  0 d
  O4    O2-    2 i 0.305(2) 0.416(1) 0.276(2) 1.  0 d
  O5    O2-    2 i 0.185(3) 0.213(2) 0.072(2) 1.  0 d
  O6    O2-    2 i -0.095(3) 0.307(2) 0.103(2) 1.  0 d
  O7    O2-    2 i 0.484(2) 0.609(1) 0.459(2) 1.  0 d
  O8    O2-    2 i 0.549(3) 0.506(1) 0.167(2) 1.  0 d
  O9    O2-    2 i 0.284(3) 0.631(2) 0.183(2) 1.  0 d
  O10   O2-    2 i 0.273(2) 0.516(1) 0.577(2) 1.  0 d
  O11   O2-    2 i 0.680(2) 0.728(1) 0.375(2) 1.  0 d
  O12   O2-    2 i 0.046(3) 0.543(2) 0.330(2) 1.  0 d
  O13   O2-    2 i 0.862(2) 0.952(1) 0.578(2) 1.  0 d
  O14   O2-    2 i 0.434(3) 0.863(2) 0.427(2) 1.  0 d
  O15   O2-    2 i -0.099(3) -0.187(2) 0.221(2) 1.  0 d
  O16   O2-    2 i -0.299(3) -0.002(2) 0.279(2) 1.  0 d
  O17   O2-    2 i -0.455(3) -0.135(2) 0.027(2) 1.  0 d
  Tl1   Tl1+   2 i 0.3549(2) 0.7320(1) 0.7801(1) 1.  0 d
  Tl2   Tl1+   2 i 0.2896(2) 0.9071(1) 0.1832(1) 1.  0 d
  Tl3   Tl1+   2 i 0.0986(2) 0.8151(1) 0.4752(1) 1.  0 d
  Tl4   Tl1+   2 i 0.1653(1) 0.4281(1) 0.9163(1) 1.  0 d