The material structure described by Ba2MgTiO4 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(1) and one Ti(1) atom to form a mixture of distorted edge and corner-sharing OBa4Ti square pyramids. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ba2MgTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.986
_cell_length_b   3.969
_cell_length_c   10.966
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.513
_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
  Ba  Ba0  1  0.995  0.000  0.931  1.0
  Ba  Ba1  1  0.995  0.000  0.569  1.0
  Mg  Mg2  1  0.495  0.000  0.250  1.0
  Ti  Ti3  1  0.495  0.500  0.750  1.0
  O  O4  1  0.993  0.500  0.750  1.0
  O  O5  1  0.494  0.500  0.932  1.0
  O  O6  1  0.494  0.500  0.568  1.0
  O  O7  1  0.493  0.000  0.750  1.0
[/CIF]
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The material structure described by Ba2MgTiO4 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(1) and one Ti(1) atom to form a mixture of distorted edge and corner-sharing OBa4Ti square pyramids. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ba2MgTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.986
_cell_length_b   3.969
_cell_length_c   10.966
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.513
_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
  Ba  Ba0  1  0.995  0.000  0.931  1.0
  Ba  Ba1  1  0.995  0.000  0.569  1.0
  Mg  Mg2  1  0.495  0.000  0.250  1.0
  Ti  Ti3  1  0.495  0.500  0.750  1.0
  O  O4  1  0.993  0.500  0.750  1.0
  O  O5  1  0.494  0.500  0.932  1.0
  O  O6  1  0.494  0.500  0.568  1.0
  O  O7  1  0.493  0.000  0.750  1.0
[/CIF]
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