The material structure described by MgTi2O5 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(13), one O(2), one O(4), one O(5), and one O(8) atom to form distorted MgO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. In the second Mg site, Mg(2) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted MgO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(13), one O(14), one O(15), and one O(3) atom. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(12), one O(14), one O(2), one O(3), one O(5), and one O(6) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-55°. In the second Ti site, Ti(2) is bonded to one O(1), one O(11), one O(15), one O(3), one O(4), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-55°. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-56°. In the fifth Ti site, Ti(5) is bonded to one O(1), one O(11), one O(13), one O(14), one O(15), and one O(4) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the sixth Ti site, Ti(6) is bonded to one O(12), one O(13), one O(14), one O(15), one O(2), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-48°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(2), and one Ti(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Ti(6) atom. In the third O site, O(3) is bonded to one Mg(3), one Ti(1), one Ti(2), and one Ti(3) atom to form distorted OMgTi3 trigonal pyramids that share  a cornercorner with one O(13)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(5)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(4)MgTi3 trigonal pyramid,  an edgeedge with one O(14)MgTi3 trigonal pyramid,  an edgeedge with one O(15)MgTi3 trigonal pyramid,  an edgeedge with one O(6)MgTi3 trigonal pyramid, and  an edgeedge with one O(7)MgTi3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(2), one Ti(4), and one Ti(5) atom to form distorted OMgTi3 trigonal pyramids that share  a cornercorner with one O(5)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(14)MgTi3 trigonal pyramid,  a cornercorner with one O(3)MgTi3 trigonal pyramid,  a cornercorner with one O(6)MgTi3 trigonal pyramid,  an edgeedge with one O(13)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(15)MgTi3 trigonal pyramid, and  an edgeedge with one O(7)MgTi3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Mg(1), one Mg(2), one Ti(1), and one Ti(6) atom to form distorted OMg2Ti2 trigonal pyramids that share  a cornercorner with one O(15)MgTi3 trigonal pyramid,  a cornercorner with one O(3)MgTi3 trigonal pyramid,  a cornercorner with one O(4)MgTi3 trigonal pyramid,  a cornercorner with one O(7)MgTi3 trigonal pyramid,  an edgeedge with one O(13)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(14)MgTi3 trigonal pyramid, and  an edgeedge with one O(6)MgTi3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Mg(2), one Ti(1), one Ti(3), and one Ti(4) atom to form distorted OMgTi3 trigonal pyramids that share  a cornercorner with one O(14)MgTi3 trigonal pyramid,  a cornercorner with one O(4)MgTi3 trigonal pyramid,  a cornercorner with one O(7)MgTi3 trigonal pyramid,  an edgeedge with one O(5)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(3)MgTi3 trigonal pyramid, and  an edgeedge with one O(7)MgTi3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mg(2), one Ti(2), one Ti(3), and one Ti(4) atom to form distorted OMgTi3 trigonal pyramids that share  a cornercorner with one O(5)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(15)MgTi3 trigonal pyramid,  a cornercorner with one O(6)MgTi3 trigonal pyramid,  an edgeedge with one O(3)MgTi3 trigonal pyramid,  an edgeedge with one O(4)MgTi3 trigonal pyramid, and  an edgeedge with one O(6)MgTi3 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one Ti(3), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(2), one Ti(3), and one Ti(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2), one Ti(3), and one Ti(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(3), one Ti(2), and one Ti(5) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(3), one Ti(1), and one Ti(6) atom. In the thirteenth O site, O(13) is bonded to one Mg(1), one Mg(3), one Ti(5), and one Ti(6) atom to form distorted OMg2Ti2 trigonal pyramids that share  a cornercorner with one O(14)MgTi3 trigonal pyramid,  a cornercorner with one O(15)MgTi3 trigonal pyramid,  a cornercorner with one O(3)MgTi3 trigonal pyramid,  an edgeedge with one O(5)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(14)MgTi3 trigonal pyramid,  an edgeedge with one O(15)MgTi3 trigonal pyramid, and  an edgeedge with one O(4)MgTi3 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Mg(3), one Ti(1), one Ti(5), and one Ti(6) atom to form distorted OMgTi3 trigonal pyramids that share  a cornercorner with one O(13)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(15)MgTi3 trigonal pyramid,  a cornercorner with one O(4)MgTi3 trigonal pyramid,  a cornercorner with one O(6)MgTi3 trigonal pyramid,  an edgeedge with one O(13)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(5)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(15)MgTi3 trigonal pyramid, and  an edgeedge with one O(3)MgTi3 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Mg(3), one Ti(2), one Ti(5), and one Ti(6) atom to form distorted OMgTi3 trigonal pyramids that share  a cornercorner with one O(13)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(5)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(14)MgTi3 trigonal pyramid,  a cornercorner with one O(7)MgTi3 trigonal pyramid,  an edgeedge with one O(13)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(14)MgTi3 trigonal pyramid,  an edgeedge with one O(3)MgTi3 trigonal pyramid, and  an edgeedge with one O(4)MgTi3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.326
_cell_length_b   5.266
_cell_length_c   10.076
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.983
_symmetry_Int_Tables_number   1
_cell_volume   561.090
_cell_formula_units_Z   6
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  0.067  0.393  0.252  1.0
  Mg  Mg1  1  0.286  0.720  0.433  1.0
  Mg  Mg2  1  0.381  0.280  0.933  1.0
  Mg  Mg3  1  0.600  0.607  0.752  1.0
  Mg  Mg4  1  0.731  0.386  0.251  1.0
  Mg  Mg5  1  0.935  0.614  0.751  1.0
  Ti  Ti6  1  0.043  0.264  0.560  1.0
  Ti  Ti7  1  0.045  0.267  0.939  1.0
  Ti  Ti8  1  0.270  0.618  0.751  1.0
  Ti  Ti9  1  0.290  0.734  0.062  1.0
  Ti  Ti10  1  0.376  0.266  0.562  1.0
  Ti  Ti11  1  0.397  0.382  0.251  1.0
  Ti  Ti12  1  0.624  0.736  0.060  1.0
  Ti  Ti13  1  0.622  0.733  0.439  1.0
  Ti  Ti14  1  0.710  0.267  0.569  1.0
  Ti  Ti15  1  0.709  0.274  0.935  1.0
  Ti  Ti16  1  0.957  0.733  0.069  1.0
  Ti  Ti17  1  0.957  0.726  0.435  1.0
  O  O18  1  0.017  0.095  0.114  1.0
  O  O19  1  0.019  0.086  0.386  1.0
  O  O20  1  0.084  0.465  0.747  1.0
  O  O21  1  0.107  0.636  0.070  1.0
  O  O22  1  0.096  0.614  0.434  1.0
  O  O23  1  0.227  0.370  0.569  1.0
  O  O24  1  0.225  0.383  0.930  1.0
  O  O25  1  0.263  0.524  0.243  1.0
  O  O26  1  0.317  0.911  0.623  1.0
  O  O27  1  0.317  0.887  0.883  1.0
  O  O28  1  0.350  0.113  0.383  1.0
  O  O29  1  0.349  0.089  0.123  1.0
  O  O30  1  0.403  0.476  0.743  1.0
  O  O31  1  0.440  0.630  0.069  1.0
  O  O32  1  0.442  0.617  0.430  1.0
  O  O33  1  0.559  0.364  0.570  1.0
  O  O34  1  0.570  0.386  0.934  1.0
  O  O35  1  0.583  0.535  0.247  1.0
  O  O36  1  0.650  0.905  0.614  1.0
  O  O37  1  0.647  0.914  0.886  1.0
  O  O38  1  0.682  0.083  0.386  1.0
  O  O39  1  0.688  0.090  0.113  1.0
  O  O40  1  0.742  0.438  0.748  1.0
  O  O41  1  0.772  0.631  0.066  1.0
  O  O42  1  0.766  0.611  0.436  1.0
  O  O43  1  0.895  0.369  0.566  1.0
  O  O44  1  0.900  0.389  0.936  1.0
  O  O45  1  0.925  0.562  0.248  1.0
  O  O46  1  0.979  0.910  0.613  1.0
  O  O47  1  0.984  0.917  0.886  1.0
[/CIF]
.
The material structure described by MgTi2O5 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(13), one O(2), one O(4), one O(5), and one O(8) atom to form distorted MgO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. In the second Mg site, Mg(2) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted MgO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(13), one O(14), one O(15), and one O(3) atom. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(12), one O(14), one O(2), one O(3), one O(5), and one O(6) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-55°. In the second Ti site, Ti(2) is bonded to one O(1), one O(11), one O(15), one O(3), one O(4), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-55°. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-56°. In the fifth Ti site, Ti(5) is bonded to one O(1), one O(11), one O(13), one O(14), one O(15), and one O(4) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the sixth Ti site, Ti(6) is bonded to one O(12), one O(13), one O(14), one O(15), one O(2), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-48°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(2), and one Ti(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Ti(6) atom. In the third O site, O(3) is bonded to one Mg(3), one Ti(1), one Ti(2), and one Ti(3) atom to form distorted OMgTi3 trigonal pyramids that share  a cornercorner with one O(13)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(5)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(4)MgTi3 trigonal pyramid,  an edgeedge with one O(14)MgTi3 trigonal pyramid,  an edgeedge with one O(15)MgTi3 trigonal pyramid,  an edgeedge with one O(6)MgTi3 trigonal pyramid, and  an edgeedge with one O(7)MgTi3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(2), one Ti(4), and one Ti(5) atom to form distorted OMgTi3 trigonal pyramids that share  a cornercorner with one O(5)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(14)MgTi3 trigonal pyramid,  a cornercorner with one O(3)MgTi3 trigonal pyramid,  a cornercorner with one O(6)MgTi3 trigonal pyramid,  an edgeedge with one O(13)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(15)MgTi3 trigonal pyramid, and  an edgeedge with one O(7)MgTi3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Mg(1), one Mg(2), one Ti(1), and one Ti(6) atom to form distorted OMg2Ti2 trigonal pyramids that share  a cornercorner with one O(15)MgTi3 trigonal pyramid,  a cornercorner with one O(3)MgTi3 trigonal pyramid,  a cornercorner with one O(4)MgTi3 trigonal pyramid,  a cornercorner with one O(7)MgTi3 trigonal pyramid,  an edgeedge with one O(13)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(14)MgTi3 trigonal pyramid, and  an edgeedge with one O(6)MgTi3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Mg(2), one Ti(1), one Ti(3), and one Ti(4) atom to form distorted OMgTi3 trigonal pyramids that share  a cornercorner with one O(14)MgTi3 trigonal pyramid,  a cornercorner with one O(4)MgTi3 trigonal pyramid,  a cornercorner with one O(7)MgTi3 trigonal pyramid,  an edgeedge with one O(5)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(3)MgTi3 trigonal pyramid, and  an edgeedge with one O(7)MgTi3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mg(2), one Ti(2), one Ti(3), and one Ti(4) atom to form distorted OMgTi3 trigonal pyramids that share  a cornercorner with one O(5)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(15)MgTi3 trigonal pyramid,  a cornercorner with one O(6)MgTi3 trigonal pyramid,  an edgeedge with one O(3)MgTi3 trigonal pyramid,  an edgeedge with one O(4)MgTi3 trigonal pyramid, and  an edgeedge with one O(6)MgTi3 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one Ti(3), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(2), one Ti(3), and one Ti(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2), one Ti(3), and one Ti(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(3), one Ti(2), and one Ti(5) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(3), one Ti(1), and one Ti(6) atom. In the thirteenth O site, O(13) is bonded to one Mg(1), one Mg(3), one Ti(5), and one Ti(6) atom to form distorted OMg2Ti2 trigonal pyramids that share  a cornercorner with one O(14)MgTi3 trigonal pyramid,  a cornercorner with one O(15)MgTi3 trigonal pyramid,  a cornercorner with one O(3)MgTi3 trigonal pyramid,  an edgeedge with one O(5)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(14)MgTi3 trigonal pyramid,  an edgeedge with one O(15)MgTi3 trigonal pyramid, and  an edgeedge with one O(4)MgTi3 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Mg(3), one Ti(1), one Ti(5), and one Ti(6) atom to form distorted OMgTi3 trigonal pyramids that share  a cornercorner with one O(13)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(15)MgTi3 trigonal pyramid,  a cornercorner with one O(4)MgTi3 trigonal pyramid,  a cornercorner with one O(6)MgTi3 trigonal pyramid,  an edgeedge with one O(13)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(5)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(15)MgTi3 trigonal pyramid, and  an edgeedge with one O(3)MgTi3 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Mg(3), one Ti(2), one Ti(5), and one Ti(6) atom to form distorted OMgTi3 trigonal pyramids that share  a cornercorner with one O(13)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(5)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(14)MgTi3 trigonal pyramid,  a cornercorner with one O(7)MgTi3 trigonal pyramid,  an edgeedge with one O(13)Mg2Ti2 trigonal pyramid,  an edgeedge with one O(14)MgTi3 trigonal pyramid,  an edgeedge with one O(3)MgTi3 trigonal pyramid, and  an edgeedge with one O(4)MgTi3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.326
_cell_length_b   5.266
_cell_length_c   10.076
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.983
_symmetry_Int_Tables_number   1
_cell_volume   561.090
_cell_formula_units_Z   6
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  0.067  0.393  0.252  1.0
  Mg  Mg1  1  0.286  0.720  0.433  1.0
  Mg  Mg2  1  0.381  0.280  0.933  1.0
  Mg  Mg3  1  0.600  0.607  0.752  1.0
  Mg  Mg4  1  0.731  0.386  0.251  1.0
  Mg  Mg5  1  0.935  0.614  0.751  1.0
  Ti  Ti6  1  0.043  0.264  0.560  1.0
  Ti  Ti7  1  0.045  0.267  0.939  1.0
  Ti  Ti8  1  0.270  0.618  0.751  1.0
  Ti  Ti9  1  0.290  0.734  0.062  1.0
  Ti  Ti10  1  0.376  0.266  0.562  1.0
  Ti  Ti11  1  0.397  0.382  0.251  1.0
  Ti  Ti12  1  0.624  0.736  0.060  1.0
  Ti  Ti13  1  0.622  0.733  0.439  1.0
  Ti  Ti14  1  0.710  0.267  0.569  1.0
  Ti  Ti15  1  0.709  0.274  0.935  1.0
  Ti  Ti16  1  0.957  0.733  0.069  1.0
  Ti  Ti17  1  0.957  0.726  0.435  1.0
  O  O18  1  0.017  0.095  0.114  1.0
  O  O19  1  0.019  0.086  0.386  1.0
  O  O20  1  0.084  0.465  0.747  1.0
  O  O21  1  0.107  0.636  0.070  1.0
  O  O22  1  0.096  0.614  0.434  1.0
  O  O23  1  0.227  0.370  0.569  1.0
  O  O24  1  0.225  0.383  0.930  1.0
  O  O25  1  0.263  0.524  0.243  1.0
  O  O26  1  0.317  0.911  0.623  1.0
  O  O27  1  0.317  0.887  0.883  1.0
  O  O28  1  0.350  0.113  0.383  1.0
  O  O29  1  0.349  0.089  0.123  1.0
  O  O30  1  0.403  0.476  0.743  1.0
  O  O31  1  0.440  0.630  0.069  1.0
  O  O32  1  0.442  0.617  0.430  1.0
  O  O33  1  0.559  0.364  0.570  1.0
  O  O34  1  0.570  0.386  0.934  1.0
  O  O35  1  0.583  0.535  0.247  1.0
  O  O36  1  0.650  0.905  0.614  1.0
  O  O37  1  0.647  0.914  0.886  1.0
  O  O38  1  0.682  0.083  0.386  1.0
  O  O39  1  0.688  0.090  0.113  1.0
  O  O40  1  0.742  0.438  0.748  1.0
  O  O41  1  0.772  0.631  0.066  1.0
  O  O42  1  0.766  0.611  0.436  1.0
  O  O43  1  0.895  0.369  0.566  1.0
  O  O44  1  0.900  0.389  0.936  1.0
  O  O45  1  0.925  0.562  0.248  1.0
  O  O46  1  0.979  0.910  0.613  1.0
  O  O47  1  0.984  0.917  0.886  1.0
[/CIF]
.