#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/80/1008014.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_1008014
_chemical_name_systematic          'Molybdenum tellurium oxide (5/1/16)'
_chemical_formula_structural       'Mo5 Te O16'
_chemical_formula_sum              'Mo5 O16 Te'
_publ_section_title
;
Structure cristalline de l'oxyde mixte de molybdene-tellure: Mo~5~ Te
O~16~
;
loop_
_publ_author_name
  'Arnaud, Y'
  'Guidot, J'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    33
_journal_year                      1977
_journal_page_first                2151
_journal_page_last                 2155
_cell_length_a                     10.038(2)
_cell_length_b                     14.431(2)
_cell_length_c                     8.1617(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90.85(1)
_cell_angle_gamma                  90
_cell_volume                       1182.2
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Te2+   2.000
  Mo6+   6.000
  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
  Te1   Te2+   4 e 0.01691(11) 0.33611(7) 0.21163(11) 1.  0 d
  Mo1   Mo6+   4 e -0.00046(14) 0.10839(9) 0.24639(16) 1.  0 d
  Mo2   Mo6+   4 e 0.67063(14) 0.25122(9) 0.27971(16) 1.  0 d
  Mo3   Mo6+   4 e 0.31418(13) 0.25182(9) 0.19297(14) 1.  0 d
  Mo4   Mo6+   4 e 0.32670(12) 0.00090(9) 0.29939(14) 1.  0 d
  Mo5   Mo6+   4 e 0.68080(15) -0.00133(8) 0.19891(15) 1.  0 d
  O1    O2-    4 e 0.1162(7) 0.2318(4) 0.2330(8) 1.  0 d
  O2    O2-    4 e 0.8694(5) 0.2263(5) 0.2295(8) 1.  0 d
  O3    O2-    4 e -0.0098(8) 0.3409(6) -0.0101(8) 1.  0 d
  O4    O2-    4 e 0.7455(7) 0.3737(5) 0.2298(8) 1.  0 d
  O5    O2-    4 e 0.8595(6) 0.0334(5) 0.2856(8) 1.  0 d
  O6    O2-    4 e 0.6744(7) 0.2474(5) -0.0128(7) 1.  0 d
  O7    O2-    4 e 0.1326(7) 0.0328(5) 0.3048(8) 1.  0 d
  O8    O2-    4 e 0.0092(10) 0.1031(6) 0.0398(8) 1.  0 d
  O9    O2-    4 e 0.4951(7) 0.2792(4) 0.2355(8) 1.  0 d
  O10   O2-    4 e 0.5007(7) 0.4738(4) 0.2850(8) 1.  0 d
  O11   O2-    4 e 0.6440(7) 0.1254(5) 0.2369(8) 1.  0 d
  O12   O2-    4 e 0.3477(7) 0.1269(4) 0.2437(8) 1.  0 d
  O13   O2-    4 e 0.2890(8) -0.0003(5) 0.0068(8) 1.  0 d
  O14   O2-    4 e 0.2620(7) 0.3772(4) 0.2401(8) 1.  0 d
  O15   O2-    4 e 0.3539(8) 0.4989(5) 0.0040(8) 1.  0 d
  O16   O2-    4 e 0.3129(8) 0.2519(5) 0.4845(7) 1.  0 d
_refine_ls_R_factor_all            0.032
_cod_database_code 1008014