#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002144.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_2002144
_chemical_name_systematic
;
Lead manganese tellurium oxide (1/0.5/0.5/3)
;
_chemical_formula_structural       'Pb (Mn0.5 Te0.5 O3)'
_chemical_formula_analytical       'Pb1.3 Mn0.8 Te O5.1'
_chemical_formula_sum            'Mn0.5 O3 Pb Te0.5'
_[local]_cod_chemical_formula_sum_orig 'Mn.5 O3 Pb Te.5'
_publ_section_title
;
Zur Kristallchemie von Telluraten mit Mn2+ im kationischen und
anionischen Teil der Kristallstruktur: (Mn2.4 Cu0.6) Te O6, Ba2 Mn Te
O6 und Pb (Mn0.5 Te0.5) O3
;
loop_
_publ_author_name
  'Wulff, L'
  'Wedel, B'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    53
_journal_year                      1998
_journal_page_first                49
_journal_page_last                 52
_cell_length_a                     4.045(3)
_cell_length_b                     4.045(3)
_cell_length_c                     4.045(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       66.2
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -4 3 m'
_symmetry_Int_Tables_number        215
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  'x,z,y'
  'y,x,z'
  'z,y,x'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  'x,-z,-y'
  'y,-x,-z'
  'z,-y,-x'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  '-x,z,-y'
  '-y,x,-z'
  '-z,y,-x'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
  '-x,-z,y'
  '-y,-x,z'
  '-z,-y,x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  Te6+   6.000
  Mn2+   2.000
  O2-   -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
  Pb1   Pb2+   1 a 0. 0. 0. 1.  0 d
  Te1   Te6+   1 b 0.5 0.5 0.5 0.5  0 d
  Mn1   Mn2+   1 b 0.5 0.5 0.5 0.5  0 d
  O1    O2-    3 c 0. 0.5 0.5 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Pb1   0.0152(3) 0. 0. 0.0152(3) 0. 0.0152(3)
  Te1   0.0019(4) 0. 0. 0.0019(4) 0. 0.0019(4)
  Mn1   0.0019(4) 0. 0. 0.0019(4) 0. 0.0019(4)
  O1    0.023(6) 0. 0. 0.050(5) 0. 0.050(5)
_refine_ls_R_factor_all            0.0279
_cod_database_code 2002144