The compound described by BaMgTi4O8 crystallizes in the trigonal P-31m space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with twelve equivalent Ti(1)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with twelve equivalent Ti(1)O4 tetrahedra and faces with two equivalent Ba(1)O12 cuboctahedra. Ti(1) is bonded to one O(2) and three equivalent O(1) atoms to form TiO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with four equivalent Ti(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mg(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMgTi4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   5.392
_cell_length_c   7.512
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   189.135
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Ti  Ti2  1  0.333  0.667  0.748  1.0
  Ti  Ti3  1  0.667  0.333  0.748  1.0
  Ti  Ti4  1  0.333  0.667  0.252  1.0
  Ti  Ti5  1  0.667  0.333  0.252  1.0
  O  O6  1  0.315  0.315  0.674  1.0
  O  O7  1  0.685  0.000  0.674  1.0
  O  O8  1  0.000  0.685  0.674  1.0
  O  O9  1  0.685  0.685  0.326  1.0
  O  O10  1  0.000  0.315  0.326  1.0
  O  O11  1  0.315  0.000  0.326  1.0
  O  O12  1  0.333  0.667  0.000  1.0
  O  O13  1  0.667  0.333  0.000  1.0
[/CIF]
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The compound described by BaMgTi4O8 crystallizes in the trigonal P-31m space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with twelve equivalent Ti(1)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with twelve equivalent Ti(1)O4 tetrahedra and faces with two equivalent Ba(1)O12 cuboctahedra. Ti(1) is bonded to one O(2) and three equivalent O(1) atoms to form TiO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with four equivalent Ti(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mg(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMgTi4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   5.392
_cell_length_c   7.512
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   189.135
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Ti  Ti2  1  0.333  0.667  0.748  1.0
  Ti  Ti3  1  0.667  0.333  0.748  1.0
  Ti  Ti4  1  0.333  0.667  0.252  1.0
  Ti  Ti5  1  0.667  0.333  0.252  1.0
  O  O6  1  0.315  0.315  0.674  1.0
  O  O7  1  0.685  0.000  0.674  1.0
  O  O8  1  0.000  0.685  0.674  1.0
  O  O9  1  0.685  0.685  0.326  1.0
  O  O10  1  0.000  0.315  0.326  1.0
  O  O11  1  0.315  0.000  0.326  1.0
  O  O12  1  0.333  0.667  0.000  1.0
  O  O13  1  0.667  0.333  0.000  1.0
[/CIF]
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