The structure described by Mg2TiBO5 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second Mg site, Mg(2) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. In the third Mg site, Mg(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. Ti(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra,  an edgeedge with one Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-63°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(2), one Ti(1), and one B(1) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Ti(1), and one B(1) atom. In the third O site, O(2) is bonded to one Mg(2), two equivalent Mg(3), and two equivalent Ti(1) atoms to form OMg3Ti2 square pyramids that share corners with two equivalent O(2)Mg3Ti2 square pyramids, corners with three equivalent O(4)Mg2Ti2 tetrahedra, edges with three equivalent O(2)Mg3Ti2 square pyramids, and  an edgeedge with one O(4)Mg2Ti2 tetrahedra. In the fourth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(3), two equivalent Mg(2), and one B(1) atom. In the fifth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent Ti(1) atoms to form OMg2Ti2 tetrahedra that share corners with three equivalent O(2)Mg3Ti2 square pyramids, corners with three equivalent O(4)Mg2Ti2 tetrahedra, and  an edgeedge with one O(2)Mg3Ti2 square pyramid. is represented by the CIF card [CIF]
data_Mg2TiBO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.051
_cell_length_b   9.388
_cell_length_c   12.476
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.328
_cell_formula_units_Z   4
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  0.000  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.500  0.003  0.218  1.0
  Mg  Mg3  1  0.500  0.997  0.782  1.0
  Mg  Mg4  1  0.500  0.497  0.718  1.0
  Mg  Mg5  1  0.500  0.503  0.282  1.0
  Mg  Mg6  1  0.000  0.000  0.000  1.0
  Mg  Mg7  1  0.000  0.500  0.500  1.0
  Ti  Ti8  1  0.000  0.240  0.385  1.0
  Ti  Ti9  1  0.000  0.760  0.615  1.0
  Ti  Ti10  1  0.000  0.260  0.885  1.0
  Ti  Ti11  1  0.000  0.740  0.115  1.0
  B  B12  1  0.000  0.274  0.140  1.0
  B  B13  1  0.000  0.726  0.860  1.0
  B  B14  1  0.000  0.226  0.640  1.0
  B  B15  1  0.000  0.774  0.360  1.0
  O  O16  1  0.000  0.351  0.043  1.0
  O  O17  1  0.000  0.649  0.957  1.0
  O  O18  1  0.000  0.149  0.543  1.0
  O  O19  1  0.000  0.851  0.457  1.0
  O  O20  1  0.500  0.384  0.423  1.0
  O  O21  1  0.500  0.616  0.577  1.0
  O  O22  1  0.500  0.116  0.923  1.0
  O  O23  1  0.500  0.884  0.077  1.0
  O  O24  1  0.000  0.127  0.142  1.0
  O  O25  1  0.000  0.873  0.858  1.0
  O  O26  1  0.000  0.373  0.642  1.0
  O  O27  1  0.000  0.627  0.358  1.0
  O  O28  1  0.500  0.106  0.357  1.0
  O  O29  1  0.500  0.894  0.643  1.0
  O  O30  1  0.500  0.394  0.857  1.0
  O  O31  1  0.500  0.606  0.143  1.0
  O  O32  1  0.000  0.350  0.236  1.0
  O  O33  1  0.000  0.650  0.764  1.0
  O  O34  1  0.000  0.150  0.736  1.0
  O  O35  1  0.000  0.850  0.264  1.0
[/CIF]
.
The structure described by Mg2TiBO5 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second Mg site, Mg(2) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. In the third Mg site, Mg(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. Ti(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra,  an edgeedge with one Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-63°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(2), one Ti(1), and one B(1) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Ti(1), and one B(1) atom. In the third O site, O(2) is bonded to one Mg(2), two equivalent Mg(3), and two equivalent Ti(1) atoms to form OMg3Ti2 square pyramids that share corners with two equivalent O(2)Mg3Ti2 square pyramids, corners with three equivalent O(4)Mg2Ti2 tetrahedra, edges with three equivalent O(2)Mg3Ti2 square pyramids, and  an edgeedge with one O(4)Mg2Ti2 tetrahedra. In the fourth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(3), two equivalent Mg(2), and one B(1) atom. In the fifth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent Ti(1) atoms to form OMg2Ti2 tetrahedra that share corners with three equivalent O(2)Mg3Ti2 square pyramids, corners with three equivalent O(4)Mg2Ti2 tetrahedra, and  an edgeedge with one O(2)Mg3Ti2 square pyramid. is represented by the CIF card [CIF]
data_Mg2TiBO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.051
_cell_length_b   9.388
_cell_length_c   12.476
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.328
_cell_formula_units_Z   4
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  0.000  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.500  0.003  0.218  1.0
  Mg  Mg3  1  0.500  0.997  0.782  1.0
  Mg  Mg4  1  0.500  0.497  0.718  1.0
  Mg  Mg5  1  0.500  0.503  0.282  1.0
  Mg  Mg6  1  0.000  0.000  0.000  1.0
  Mg  Mg7  1  0.000  0.500  0.500  1.0
  Ti  Ti8  1  0.000  0.240  0.385  1.0
  Ti  Ti9  1  0.000  0.760  0.615  1.0
  Ti  Ti10  1  0.000  0.260  0.885  1.0
  Ti  Ti11  1  0.000  0.740  0.115  1.0
  B  B12  1  0.000  0.274  0.140  1.0
  B  B13  1  0.000  0.726  0.860  1.0
  B  B14  1  0.000  0.226  0.640  1.0
  B  B15  1  0.000  0.774  0.360  1.0
  O  O16  1  0.000  0.351  0.043  1.0
  O  O17  1  0.000  0.649  0.957  1.0
  O  O18  1  0.000  0.149  0.543  1.0
  O  O19  1  0.000  0.851  0.457  1.0
  O  O20  1  0.500  0.384  0.423  1.0
  O  O21  1  0.500  0.616  0.577  1.0
  O  O22  1  0.500  0.116  0.923  1.0
  O  O23  1  0.500  0.884  0.077  1.0
  O  O24  1  0.000  0.127  0.142  1.0
  O  O25  1  0.000  0.873  0.858  1.0
  O  O26  1  0.000  0.373  0.642  1.0
  O  O27  1  0.000  0.627  0.358  1.0
  O  O28  1  0.500  0.106  0.357  1.0
  O  O29  1  0.500  0.894  0.643  1.0
  O  O30  1  0.500  0.394  0.857  1.0
  O  O31  1  0.500  0.606  0.143  1.0
  O  O32  1  0.000  0.350  0.236  1.0
  O  O33  1  0.000  0.650  0.764  1.0
  O  O34  1  0.000  0.150  0.736  1.0
  O  O35  1  0.000  0.850  0.264  1.0
[/CIF]
.