The crystal structure described by MgTi2O5 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-63°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-63°. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-36°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms to form distorted OMgTi3 tetrahedra that share corners with two equivalent O(1)MgTi3 tetrahedra,  a cornercorner with one O(2)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(3)MgTi3 trigonal pyramid, edges with two equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with two equivalent O(3)MgTi3 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and one Ti(2) atom to form distorted OMg2Ti2 trigonal pyramids that share  a cornercorner with one O(1)MgTi3 tetrahedra,  a cornercorner with one O(3)MgTi3 trigonal pyramid, corners with two equivalent O(2)Mg2Ti2 trigonal pyramids, edges with two equivalent O(1)MgTi3 tetrahedra, and edges with two equivalent O(3)MgTi3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form OMgTi3 trigonal pyramids that share  a cornercorner with one O(1)MgTi3 tetrahedra,  a cornercorner with one O(2)Mg2Ti2 trigonal pyramid, corners with two equivalent O(3)MgTi3 trigonal pyramids, edges with two equivalent O(1)MgTi3 tetrahedra, and edges with two equivalent O(2)Mg2Ti2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.329
_cell_length_b   5.329
_cell_length_c   9.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   138.507
_symmetry_Int_Tables_number   1
_cell_volume   187.213
_cell_formula_units_Z   2
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  0.858  0.142  0.936  1.0
  Mg  Mg1  1  0.142  0.858  0.436  1.0
  Ti  Ti2  1  0.135  0.865  0.058  1.0
  Ti  Ti3  1  0.865  0.135  0.558  1.0
  Ti  Ti4  1  0.814  0.186  0.255  1.0
  Ti  Ti5  1  0.186  0.814  0.755  1.0
  O  O6  1  0.254  0.746  0.239  1.0
  O  O7  1  0.746  0.254  0.739  1.0
  O  O8  1  0.705  0.295  0.422  1.0
  O  O9  1  0.317  0.683  0.582  1.0
  O  O10  1  0.683  0.317  0.082  1.0
  O  O11  1  0.295  0.705  0.922  1.0
  O  O12  1  0.950  0.050  0.384  1.0
  O  O13  1  0.041  0.959  0.623  1.0
  O  O14  1  0.959  0.041  0.123  1.0
  O  O15  1  0.050  0.950  0.884  1.0
[/CIF]
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The crystal structure described by MgTi2O5 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-63°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-63°. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-36°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms to form distorted OMgTi3 tetrahedra that share corners with two equivalent O(1)MgTi3 tetrahedra,  a cornercorner with one O(2)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(3)MgTi3 trigonal pyramid, edges with two equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with two equivalent O(3)MgTi3 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and one Ti(2) atom to form distorted OMg2Ti2 trigonal pyramids that share  a cornercorner with one O(1)MgTi3 tetrahedra,  a cornercorner with one O(3)MgTi3 trigonal pyramid, corners with two equivalent O(2)Mg2Ti2 trigonal pyramids, edges with two equivalent O(1)MgTi3 tetrahedra, and edges with two equivalent O(3)MgTi3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form OMgTi3 trigonal pyramids that share  a cornercorner with one O(1)MgTi3 tetrahedra,  a cornercorner with one O(2)Mg2Ti2 trigonal pyramid, corners with two equivalent O(3)MgTi3 trigonal pyramids, edges with two equivalent O(1)MgTi3 tetrahedra, and edges with two equivalent O(2)Mg2Ti2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.329
_cell_length_b   5.329
_cell_length_c   9.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   138.507
_symmetry_Int_Tables_number   1
_cell_volume   187.213
_cell_formula_units_Z   2
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  0.858  0.142  0.936  1.0
  Mg  Mg1  1  0.142  0.858  0.436  1.0
  Ti  Ti2  1  0.135  0.865  0.058  1.0
  Ti  Ti3  1  0.865  0.135  0.558  1.0
  Ti  Ti4  1  0.814  0.186  0.255  1.0
  Ti  Ti5  1  0.186  0.814  0.755  1.0
  O  O6  1  0.254  0.746  0.239  1.0
  O  O7  1  0.746  0.254  0.739  1.0
  O  O8  1  0.705  0.295  0.422  1.0
  O  O9  1  0.317  0.683  0.582  1.0
  O  O10  1  0.683  0.317  0.082  1.0
  O  O11  1  0.295  0.705  0.922  1.0
  O  O12  1  0.950  0.050  0.384  1.0
  O  O13  1  0.041  0.959  0.623  1.0
  O  O14  1  0.959  0.041  0.123  1.0
  O  O15  1  0.050  0.950  0.884  1.0
[/CIF]
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