#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$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
_chemical_name_systematic          'Dilead magnesiotellurate(VI)'
_chemical_name_mineral             'Elpasolite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Pb2 (Mg Te O6)'
_chemical_formula_sum              'Mg O6 Pb2 Te'
_publ_section_title
;
Rietveld refinement of the incommensurate structure of the elpasolite
(ordered perovskite) Pb2 Mg Te O6
;
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_[local]_cod_cif_authors_sg_H-M  'R -3 R'
loop_
_publ_author_name
  'Baldinozzi, G'
  'Grebille, D'
  'Sciau, Ph'
  'Kiat, J-M'
  'Moret, J'
  'Berar, J-F'
_journal_name_full                 'Journal of Physics: Condensed Matter'
_journal_coden_ASTM                JCOMEL
_journal_volume                    10
_journal_year                      1998
_journal_page_first                6461
_journal_page_last                 6472
_cell_length_a                     5.6447(5)
_cell_length_b                     5.6447(5)
_cell_length_c                     5.6447(5)
_cell_angle_alpha                  59.923(4)
_cell_angle_beta                   59.923(4)
_cell_angle_gamma                  59.923(4)
_cell_volume                       127.0
_cell_formula_units_Z              1
_symmetry_cell_setting             trigonal
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_type_symbol
_atom_type_oxidation_number
  O2-   -2.000
  Pb2+   2.000
  Te6+   6.000
  Mg2+   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
  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
_refine_ls_R_factor_all            0.024
_cod_database_code 1008900