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#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/18/1001856.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_1001856
loop_
_publ_author_name
'Choisnet, J'
'Rulmont, A'
'Tarte, P'
_publ_section_title
;
Ordering phenomena in the Li Sb O3 type structure: The new mixed
tellurates Li2 Ti Te O6 and Li2 Sn Te O6
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              272
_journal_page_last               278
_journal_paper_doi               10.1016/0022-4596(89)90292-2
_journal_volume                  82
_journal_year                    1989
_chemical_formula_structural     'Li2 Ti (Te O6)'
_chemical_formula_sum            'Li2 O6 Te Ti'
_chemical_name_systematic        'Dilithium titanium hexaoxotellurate'
_space_group_IT_number           34
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      34
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.072(1)
_cell_length_b                   4.903(1)
_cell_length_c                   8.402(2)
_cell_volume                     208.9
_refine_ls_R_factor_all          0.038
_cod_database_code               1001856
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2+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
Li1 Li1+ 2 a 0. 0. 0.723(7) 1. 0 d
Li2 Li1+ 2 b 0. 0.5 0.790(6) 1. 0 d
Te1 Te6+ 2 a 0. 0. 0.1057(7) 0.94 0 d
Ti2 Ti4+ 2 a 0. 0. 0.1057(7) 0.06 0 d
Te2 Te6+ 2 b 0. 0.5 0.4026(7) 0.06 0 d
Ti1 Ti4+ 2 b 0. 0.5 0.4026(7) 0.94 0 d
O1 O2- 4 c 0.166(2) 0.254(4) 0.257(3) 1. 0 d
O2 O2- 4 c 0.669(2) 0.207(1) 0.078(4) 1. 0 d
O3 O2- 4 c 0.829(4) 0.793(2) 0.938(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1.000
Te6+ 6.000
Ti4+ 4.000
O2- -2.000
