The compound described by MgTi3Zn2O8 is Corundum-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share edges with six equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to three equivalent Ti(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.483
_cell_length_b   5.891
_cell_length_c   5.891
_cell_angle_alpha   60.000
_cell_angle_beta   62.979
_cell_angle_gamma   62.979
_symmetry_Int_Tables_number   1
_cell_volume   165.881
_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  0.625  0.125  0.125  1.0
  Ti  Ti1  1  0.625  0.125  0.625  1.0
  Ti  Ti2  1  0.625  0.625  0.125  1.0
  Ti  Ti3  1  0.625  0.625  0.625  1.0
  Zn  Zn4  1  0.068  0.977  0.977  1.0
  Zn  Zn5  1  0.182  0.273  0.273  1.0
  O  O6  1  0.426  0.358  0.358  1.0
  O  O7  1  0.426  0.358  0.858  1.0
  O  O8  1  0.426  0.858  0.358  1.0
  O  O9  1  0.836  0.388  0.388  1.0
  O  O10  1  0.414  0.862  0.862  1.0
  O  O11  1  0.824  0.892  0.392  1.0
  O  O12  1  0.824  0.392  0.892  1.0
  O  O13  1  0.824  0.892  0.892  1.0
[/CIF]
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The compound described by MgTi3Zn2O8 is Corundum-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share edges with six equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to three equivalent Ti(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.483
_cell_length_b   5.891
_cell_length_c   5.891
_cell_angle_alpha   60.000
_cell_angle_beta   62.979
_cell_angle_gamma   62.979
_symmetry_Int_Tables_number   1
_cell_volume   165.881
_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  0.625  0.125  0.125  1.0
  Ti  Ti1  1  0.625  0.125  0.625  1.0
  Ti  Ti2  1  0.625  0.625  0.125  1.0
  Ti  Ti3  1  0.625  0.625  0.625  1.0
  Zn  Zn4  1  0.068  0.977  0.977  1.0
  Zn  Zn5  1  0.182  0.273  0.273  1.0
  O  O6  1  0.426  0.358  0.358  1.0
  O  O7  1  0.426  0.358  0.858  1.0
  O  O8  1  0.426  0.858  0.358  1.0
  O  O9  1  0.836  0.388  0.388  1.0
  O  O10  1  0.414  0.862  0.862  1.0
  O  O11  1  0.824  0.892  0.392  1.0
  O  O12  1  0.824  0.392  0.892  1.0
  O  O13  1  0.824  0.892  0.892  1.0
[/CIF]
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