The material structure described by Mg(TiO2)4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4/m space group. The structure consists of two 7439-95-4 atoms inside a TiO2 framework. In the TiO2 framework, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_MgTi4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.970
_cell_length_b   7.376
_cell_length_c   7.378
_cell_angle_alpha   87.696
_cell_angle_beta   78.386
_cell_angle_gamma   78.384
_symmetry_Int_Tables_number   1
_cell_volume   155.069
_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  0.500  0.000  0.000  1.0
  Ti  Ti1  1  0.648  0.182  0.521  1.0
  Ti  Ti2  1  0.170  0.479  0.182  1.0
  Ti  Ti3  1  0.830  0.521  0.818  1.0
  Ti  Ti4  1  0.352  0.818  0.479  1.0
  O  O5  1  0.836  0.706  0.622  1.0
  O  O6  1  0.458  0.377  0.707  1.0
  O  O7  1  0.542  0.623  0.293  1.0
  O  O8  1  0.164  0.294  0.378  1.0
  O  O9  1  0.153  0.047  0.647  1.0
  O  O10  1  0.800  0.353  0.047  1.0
  O  O11  1  0.847  0.953  0.353  1.0
  O  O12  1  0.200  0.647  0.953  1.0
[/CIF]
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The material structure described by Mg(TiO2)4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4/m space group. The structure consists of two 7439-95-4 atoms inside a TiO2 framework. In the TiO2 framework, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_MgTi4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.970
_cell_length_b   7.376
_cell_length_c   7.378
_cell_angle_alpha   87.696
_cell_angle_beta   78.386
_cell_angle_gamma   78.384
_symmetry_Int_Tables_number   1
_cell_volume   155.069
_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  0.500  0.000  0.000  1.0
  Ti  Ti1  1  0.648  0.182  0.521  1.0
  Ti  Ti2  1  0.170  0.479  0.182  1.0
  Ti  Ti3  1  0.830  0.521  0.818  1.0
  Ti  Ti4  1  0.352  0.818  0.479  1.0
  O  O5  1  0.836  0.706  0.622  1.0
  O  O6  1  0.458  0.377  0.707  1.0
  O  O7  1  0.542  0.623  0.293  1.0
  O  O8  1  0.164  0.294  0.378  1.0
  O  O9  1  0.153  0.047  0.647  1.0
  O  O10  1  0.800  0.353  0.047  1.0
  O  O11  1  0.847  0.953  0.353  1.0
  O  O12  1  0.200  0.647  0.953  1.0
[/CIF]
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