The material described by MgTiPbO3 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Pb(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), and four equivalent Pb(1) atoms to form distorted OMgTiPb4 octahedra that share corners with four equivalent O(1)MgTiPb4 octahedra, corners with eight equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with four equivalent O(1)MgTiPb4 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form distorted OMg2Ti2 trigonal pyramids that share corners with four equivalent O(1)MgTiPb4 octahedra, corners with four equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with four equivalent O(2)Mg2Ti2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-79°. is represented by the CIF card [CIF]
data_MgTiPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.826
_cell_length_b   3.826
_cell_length_c   6.077
_cell_angle_alpha   106.294
_cell_angle_beta   73.706
_cell_angle_gamma   89.494
_symmetry_Int_Tables_number   1
_cell_volume   81.580
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.785  0.215  0.755  1.0
  Ti  Ti1  1  0.386  0.614  0.487  1.0
  Pb  Pb2  1  0.127  0.873  0.118  1.0
  O  O3  1  0.614  0.386  0.135  1.0
  O  O4  1  0.849  0.645  0.612  1.0
  O  O5  1  0.355  0.151  0.612  1.0
[/CIF]
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The material described by MgTiPbO3 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Pb(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), and four equivalent Pb(1) atoms to form distorted OMgTiPb4 octahedra that share corners with four equivalent O(1)MgTiPb4 octahedra, corners with eight equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with four equivalent O(1)MgTiPb4 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form distorted OMg2Ti2 trigonal pyramids that share corners with four equivalent O(1)MgTiPb4 octahedra, corners with four equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with four equivalent O(2)Mg2Ti2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-79°. is represented by the CIF card [CIF]
data_MgTiPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.826
_cell_length_b   3.826
_cell_length_c   6.077
_cell_angle_alpha   106.294
_cell_angle_beta   73.706
_cell_angle_gamma   89.494
_symmetry_Int_Tables_number   1
_cell_volume   81.580
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.785  0.215  0.755  1.0
  Ti  Ti1  1  0.386  0.614  0.487  1.0
  Pb  Pb2  1  0.127  0.873  0.118  1.0
  O  O3  1  0.614  0.386  0.135  1.0
  O  O4  1  0.849  0.645  0.612  1.0
  O  O5  1  0.355  0.151  0.612  1.0
[/CIF]
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