#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011082.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_1011082
_chemical_name_systematic          'Lead dodecairon(III) oxide'
_chemical_name_mineral             'Magnetoplumbite 5H'
_chemical_compound_source          'synthetic at 1273 K for 1d and natural'
_chemical_formula_structural       'Pb O (Fe2 O3)6'
_chemical_formula_sum              'Fe12 O19 Pb'
_publ_section_title
;
X-ray studies on Magneto Plumbite Pb O (Fe2 O3)6 and other substances
resembling $-beta-alumina Na2 O (Al2 O3)11
;
loop_
_publ_author_name                  'Adelskoeld, V'
_journal_name_full                 'Arkiv foer Kemi, Mineralogi och Geologi, A'
_journal_coden_ASTM                ARKGAJ
_journal_volume                    12
_journal_year                      1938
_journal_page_first                1
_journal_page_last                 9
_journal_issue                     2
_cell_length_a                     5.877
_cell_length_b                     5.877
_cell_length_c                     23.01999
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       688.6
_cell_formula_units_Z              2
_exptl_crystal_density_meas        5.62
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  Fe3+   3.000
  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+   2 d 0.3333 0.6667 0.75 1.  0 d
  Fe1   Fe3+   2 a 0. 0. 0. 1.  0 d
  Fe2   Fe3+   2 b 0. 0. 0.25 1.  0 d
  Fe3   Fe3+   4 f 0.3333 0.6667 0.0278 1.  0 d
  Fe4   Fe3+   4 f 0.3333 0.6667 0.1889 1.  0 d
  Fe5   Fe3+  12 k 0.1667 0.3334 0.1083 1.  0 d
  O1    O2-    4 e 0. 0. 0.15 1.  0 d
  O2    O2-    4 f 0.3333 0.6667 -0.05 1.  0 d
  O3    O2-    6 h 0.186 0.372 0.25 1.  0 d
  O4    O2-   12 k 0.1667 0.3334 0.05 1.  0 d
  O5    O2-   12 k 0.5 1. 0.15 1.  0 d
_cod_database_code 1011082