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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/13/1001370.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_1001370
loop_
_publ_author_name
'Choisnet, J'
'Rulmont, A'
'Tarte, P'
_publ_section_title
;
Les tellurates mixtes Li~2~ Zr Te O~6~ et Li~2~ Hf Te O~6~: un nouveau
phenomene d'ordre dans la famille corindon
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              124
_journal_page_last               135
_journal_paper_doi               10.1016/0022-4596(88)90309-X
_journal_volume                  75
_journal_year                    1988
_chemical_formula_structural     'Li2 Zr Te O6'
_chemical_formula_sum            'Li2 O6 Te Zr'
_chemical_name_systematic        'Dilithium zirconium tellurium oxide'
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.172(2)
_cell_length_b                   5.172(2)
_cell_length_c                   13.847(6)
_cell_volume                     320.8
_refine_ls_R_factor_all          0.043
_cod_original_sg_symbol_H-M      'R 3 H'
_cod_database_code               1001370
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
1/3+x,2/3+y,2/3+z
2/3+x,1/3+y,1/3+z
1/3-y,2/3+x-y,2/3+z
2/3-y,1/3+x-y,1/3+z
1/3-x+y,2/3-x,2/3+z
2/3-x+y,1/3-x,1/3+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+ 3 a 0. 0. 0.29(1) 1. 0 d
Li2 Li1+ 3 a 0. 0. 0.76(1) 1. 0 d
Zr1 Zr4+ 3 a 0. 0. 0.993(1) 1. 0 d
Te1 Te6+ 3 a 0. 0. 0.500(1) 1. 0 d
O1 O2- 9 b 0.049(2) 0.355(3) 0.077(4) 1. 0 d
O2 O2- 9 b 0.652(2) 0.962(2) 0.576(4) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1.000
Zr4+ 4.000
Te6+ 6.000
O2- -2.000