#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/00/14/1001444.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
loop_
_publ_author_name
'Forestier, P'
'Goreaud, M'
_publ_section_title
;
Structure cristalline de l'oxyde a valence mixte TeMo~5~O~16~
orthorombique
;
_journal_coden_ASTM              CRAMED
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie 2 (1984-1993)
;
_journal_page_first              1141
_journal_page_last               1145
_journal_volume                  312
_journal_year                    1991
_chemical_formula_structural     'Te Mo5 O16'
_chemical_formula_sum            'Mo5 O16 Te'
_chemical_name_systematic        'Tellurium molybdenum oxide (1/5/16)'
_space_group_IT_number           28
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      28
_symmetry_space_group_name_Hall  'P -2a -2a'
_symmetry_space_group_name_H-M   'P m 2 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.010(1)
_cell_length_b                   4.0650(2)
_cell_length_c                   7.2254(4)
_cell_volume                     587.7
_refine_ls_R_factor_all          0.036
_cod_database_code               1001444
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
1/2-x,y,z
1/2+x,y,-z
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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Te4+ 4.000
Mo6+ 5.600
O2- -2.000
