The structure described by Mg2Ti2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Pbam space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Mg(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OMg2Ti2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OMg2Ti2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Ti2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.550
_cell_length_b   5.575
_cell_length_c   10.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.483
_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  0.500  0.789  0.399  1.0
  Mg  Mg1  1  0.500  0.211  0.601  1.0
  Mg  Mg2  1  0.500  0.289  0.101  1.0
  Mg  Mg3  1  0.500  0.711  0.899  1.0
  Ti  Ti4  1  0.000  0.766  0.137  1.0
  Ti  Ti5  1  0.000  0.234  0.863  1.0
  Ti  Ti6  1  0.000  0.734  0.637  1.0
  Ti  Ti7  1  0.000  0.266  0.363  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.000  0.633  0.806  1.0
  O  O10  1  0.000  0.133  0.694  1.0
  O  O11  1  0.000  0.867  0.306  1.0
  O  O12  1  0.500  0.834  0.588  1.0
  O  O13  1  0.500  0.166  0.412  1.0
  O  O14  1  0.000  0.367  0.194  1.0
  O  O15  1  0.500  0.666  0.088  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.500  0.334  0.912  1.0
[/CIF]
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The structure described by Mg2Ti2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Pbam space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Mg(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OMg2Ti2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OMg2Ti2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Ti2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.550
_cell_length_b   5.575
_cell_length_c   10.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.483
_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  0.500  0.789  0.399  1.0
  Mg  Mg1  1  0.500  0.211  0.601  1.0
  Mg  Mg2  1  0.500  0.289  0.101  1.0
  Mg  Mg3  1  0.500  0.711  0.899  1.0
  Ti  Ti4  1  0.000  0.766  0.137  1.0
  Ti  Ti5  1  0.000  0.234  0.863  1.0
  Ti  Ti6  1  0.000  0.734  0.637  1.0
  Ti  Ti7  1  0.000  0.266  0.363  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.000  0.633  0.806  1.0
  O  O10  1  0.000  0.133  0.694  1.0
  O  O11  1  0.000  0.867  0.306  1.0
  O  O12  1  0.500  0.834  0.588  1.0
  O  O13  1  0.500  0.166  0.412  1.0
  O  O14  1  0.000  0.367  0.194  1.0
  O  O15  1  0.500  0.666  0.088  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.500  0.334  0.912  1.0
[/CIF]
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