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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001444.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_1001444
_chemical_name_systematic          'Tellurium molybdenum oxide (1/5/16)'
_chemical_formula_structural       'Te Mo5 O16'
_chemical_formula_sum              'Mo5 O16 Te'
_publ_section_title
;
Structure cristalline de l'oxyde a valence mixte TeMo~5~O~16~
orthorombique
;
loop_
_publ_author_name
  'Forestier, P'
  'Goreaud, M'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie 2 (1984-1993)
;
_journal_coden_ASTM                CRAMED
_journal_volume                    312
_journal_year                      1991
_journal_page_first                1141
_journal_page_last                 1145
_cell_length_a                     20.010(1)
_cell_length_b                     4.0650(2)
_cell_length_c                     7.2254(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       587.7
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P m 2 a'
_symmetry_Int_Tables_number        28
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '1/2-x,y,z'
  '1/2+x,y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Te4+   4.000
  Mo6+   5.600
  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
  Te1   Te4+   2 c 0.25 0. 0.4240(3) 1.  0 d
  Mo1   Mo6+   4 d 0.08813(6) 0.9032(4) 0.2479(2) 1.  0 d
  Mo2   Mo6+   4 d 0.09074(7) 0.0846(4) 0.7446(2) 1.  0 d
  Mo3   Mo6+   2 c 0.25 0.8950(7) 0.9769(3) 1.  0 d
  O1    O2-    4 d 0.0734(5) 0.016(4) 0.001(2) 1.  0 d
  O2    O2-    4 d 0.0004(8) 0.988(4) 0.310(1) 1.  0 d
  O3    O2-    4 d 0.1234(5) 0.997(5) 0.495(2) 1.  0 d
  O4    O2-    4 d 0.1891(5) 0.985(4) 0.201(2) 1.  0 d
  O5    O2-    4 d 0.1832(6) 0.985(4) 0.815(2) 1.  0 d
  O6    O2-    4 d 0.0920(7) 0.487(3) 0.247(2) 1.  0 d
  O7    O2-    4 d 0.0916(6) 0.500(3) 0.747(2) 1.  0 d
  O8    O2-    2 c 0.25 0.481(5) 0.986(2) 1.  0 d
  O9    O2-    4 d 0.236(1) 0.495(8) 0.430(3) 0.5  0 d
_refine_ls_R_factor_all            0.036