The crystal structure described by MgTiPbO3 crystallizes in the tetragonal P4mm space group. Mg(1) is bonded in a 5-coordinate geometry to one Pb(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 to one Mg(1) and four equivalent O(1) atoms to form distorted PbMgO4 square pyramids that share corners with four equivalent Pb(1)MgO4 square pyramids, corners with four equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with four equivalent Pb(1)MgO4 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ti(1) and four equivalent Pb(1) atoms. 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 two equivalent Pb(1)MgO4 square pyramids, corners with four equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with four equivalent O(2)Mg2Ti2 trigonal pyramids. is represented by the CIF file [CIF]
data_MgTiPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.733
_cell_length_b   3.733
_cell_length_c   7.019
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.842
_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  0.000  0.000  0.636  1.0
  Ti  Ti1  1  0.500  0.500  0.411  1.0
  Pb  Pb2  1  0.000  0.000  0.084  1.0
  O  O3  1  0.500  0.500  0.152  1.0
  O  O4  1  0.000  0.500  0.524  1.0
  O  O5  1  0.500  0.000  0.524  1.0
[/CIF]
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The crystal structure described by MgTiPbO3 crystallizes in the tetragonal P4mm space group. Mg(1) is bonded in a 5-coordinate geometry to one Pb(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 to one Mg(1) and four equivalent O(1) atoms to form distorted PbMgO4 square pyramids that share corners with four equivalent Pb(1)MgO4 square pyramids, corners with four equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with four equivalent Pb(1)MgO4 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ti(1) and four equivalent Pb(1) atoms. 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 two equivalent Pb(1)MgO4 square pyramids, corners with four equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with four equivalent O(2)Mg2Ti2 trigonal pyramids. is represented by the CIF file [CIF]
data_MgTiPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.733
_cell_length_b   3.733
_cell_length_c   7.019
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.842
_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  0.000  0.000  0.636  1.0
  Ti  Ti1  1  0.500  0.500  0.411  1.0
  Pb  Pb2  1  0.000  0.000  0.084  1.0
  O  O3  1  0.500  0.500  0.152  1.0
  O  O4  1  0.000  0.500  0.524  1.0
  O  O5  1  0.500  0.000  0.524  1.0
[/CIF]
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