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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/1/00/89/1008900.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_1008900
loop_
_publ_author_name
'Baldinozzi, G'
'Grebille, D'
'Sciau, Ph'
'Kiat, J-M'
'Moret, J'
'Berar, J-F'
_publ_section_title
;
Rietveld refinement of the incommensurate structure of the elpasolite
(ordered perovskite) Pb2 Mg Te O6
;
_journal_coden_ASTM              JCOMEL
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              6461
_journal_page_last               6472
_journal_paper_doi               10.1088/0953-8984/10/29/006
_journal_volume                  10
_journal_year                    1998
_chemical_compound_source        synthetic
_chemical_formula_structural     'Pb2 (Mg Te O6)'
_chemical_formula_sum            'Mg O6 Pb2 Te'
_chemical_name_mineral           Elpasolite
_chemical_name_systematic        'Dilead magnesiotellurate(VI)'
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                59.923(4)
_cell_angle_beta                 59.923(4)
_cell_angle_gamma                59.923(4)
_cell_formula_units_Z            1
_cell_length_a                   5.6447(5)
_cell_length_b                   5.6447(5)
_cell_length_c                   5.6447(5)
_cell_volume                     127.0
_refine_ls_R_factor_all          0.024
_cod_original_sg_symbol_H-M      'R -3 R'
_cod_database_code               1008900
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
-x,-y,-z
-y,-z,-x
-z,-x,-y
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
O1 O2- 6 f 0.2408(6) 0.7384(5) 0.7559(6) 1. 0 d
Pb1 Pb2+ 6 f 0.248(4) 0.224(4) 0.274(2) 0.3333 0 d
Te1 Te6+ 1 b 0.5 0.5 0.5 1. 0 d
Mg1 Mg2+ 1 a 0. 0. 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2- -2.000
Pb2+ 2.000
Te6+ 6.000
Mg2+ 2.000