The compound described by MgTi4O8 crystallizes in the cubic F-43m space group. Mg(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. Ti(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Ti(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1) and 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   6.666
_cell_length_b   6.666
_cell_length_c   6.666
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   209.457
_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  0.375  0.375  0.375  1.0
  Ti  Ti1  1  0.517  0.950  0.517  1.0
  Ti  Ti2  1  0.517  0.517  0.950  1.0
  Ti  Ti3  1  0.950  0.517  0.517  1.0
  Ti  Ti4  1  0.517  0.517  0.517  1.0
  O  O5  1  0.266  0.266  0.266  1.0
  O  O6  1  0.702  0.266  0.266  1.0
  O  O7  1  0.266  0.702  0.266  1.0
  O  O8  1  0.266  0.266  0.702  1.0
  O  O9  1  0.723  0.330  0.723  1.0
  O  O10  1  0.723  0.723  0.330  1.0
  O  O11  1  0.330  0.723  0.723  1.0
  O  O12  1  0.723  0.723  0.723  1.0
[/CIF]
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The compound described by MgTi4O8 crystallizes in the cubic F-43m space group. Mg(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. Ti(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Ti(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1) and 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   6.666
_cell_length_b   6.666
_cell_length_c   6.666
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   209.457
_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  0.375  0.375  0.375  1.0
  Ti  Ti1  1  0.517  0.950  0.517  1.0
  Ti  Ti2  1  0.517  0.517  0.950  1.0
  Ti  Ti3  1  0.950  0.517  0.517  1.0
  Ti  Ti4  1  0.517  0.517  0.517  1.0
  O  O5  1  0.266  0.266  0.266  1.0
  O  O6  1  0.702  0.266  0.266  1.0
  O  O7  1  0.266  0.702  0.266  1.0
  O  O8  1  0.266  0.266  0.702  1.0
  O  O9  1  0.723  0.330  0.723  1.0
  O  O10  1  0.723  0.723  0.330  1.0
  O  O11  1  0.330  0.723  0.723  1.0
  O  O12  1  0.723  0.723  0.723  1.0
[/CIF]
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