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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001251.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_9001251
_chemical_name 'Magnetoplumbite'
loop_
_publ_author_name
'Moore P B'
'Sen Gupta P K'
'Le Page Y'
_journal_name_full "American Mineralogist"
_journal_volume 74
_journal_year 1989
_journal_page_first 1186
_journal_page_last 1194
_publ_section_title
;
 Magnetoplumbite, PbFe12O19: Refinement and lone-pair splitting
 Note: Symmetry constraints on U(i,j) for Fe5, O4  and O5 were incorrect,
 and likely were refined wrong.
 They have been replaced with their isotropic equivalents.
;
_chemical_formula_sum 'Pb1.002 Fe12 O19'
_cell_length_a 5.873
_cell_length_b 5.873
_cell_length_c 23.007
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 687.243
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Pb   0.72000   0.38400   0.25000   0.16700 ?
Fe1   0.00000   0.00000   0.00000   1.00000 ?
Fe2   0.00000   0.00000   0.25590   0.50000 ?
Fe3   0.33333   0.66667   0.02733   1.00000 ?
Fe4   0.33333   0.66667   0.19019   1.00000 ?
Fe5   0.16870  -0.16870  -0.10881   1.00000   0.00595
O1   0.00000   0.00000   0.15110   1.00000 ?
O2   0.33333   0.66667  -0.05460   1.00000 ?
O3   0.18390  -0.18390   0.25000   1.00000   0.01279
O4   0.15650  -0.15650   0.05240   1.00000   0.00595
O5   0.50350  -0.50350   0.14990   1.00000   0.00646