The material structure described by MgTi2(SeO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(12), one O(2), one O(5), and one O(7) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form TiO6 octahedra that share  an edgeedge with one Mg(1)O5 trigonal bipyramid. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O5 trigonal bipyramid and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(10), one O(2), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(5), and one O(9) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(4), and one O(8) atom. In the fourth Se site, Se(4) is bonded in a 3-coordinate geometry to one O(12), one O(3), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ti(2) and one Se(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one Se(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Ti(2) and one Se(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ti(1) and one Se(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(2), and one Se(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(1) and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Se(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(2) and one Se(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one Se(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mg(1), one Ti(2), and one Se(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Ti(1) and one Se(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one Se(4) atom. is represented by the CIF file [CIF]
data_MgTi2(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.940
_cell_length_b   6.788
_cell_length_c   8.740
_cell_angle_alpha   89.871
_cell_angle_beta   87.105
_cell_angle_gamma   111.321
_symmetry_Int_Tables_number   1
_cell_volume   272.597
_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  0.049  0.534  0.143  1.0
  Ti  Ti1  1  0.032  0.517  0.510  1.0
  Ti  Ti2  1  0.484  0.021  0.995  1.0
  Se  Se3  1  0.682  0.842  0.318  1.0
  Se  Se4  1  0.773  0.671  0.845  1.0
  Se  Se5  1  0.317  0.180  0.638  1.0
  Se  Se6  1  0.381  0.296  0.227  1.0
  O  O7  1  0.718  0.907  0.849  1.0
  O  O8  1  0.817  0.634  0.323  1.0
  O  O9  1  0.184  0.051  0.134  1.0
  O  O10  1  0.233  0.410  0.649  1.0
  O  O11  1  0.074  0.716  0.955  1.0
  O  O12  1  0.394  0.764  0.453  1.0
  O  O13  1  0.090  0.363  0.340  1.0
  O  O14  1  0.384  0.167  0.826  1.0
  O  O15  1  0.940  0.700  0.661  1.0
  O  O16  1  0.490  0.779  0.150  1.0
  O  O17  1  0.665  0.282  0.557  1.0
  O  O18  1  0.750  0.249  0.068  1.0
[/CIF]
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The material structure described by MgTi2(SeO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(12), one O(2), one O(5), and one O(7) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form TiO6 octahedra that share  an edgeedge with one Mg(1)O5 trigonal bipyramid. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O5 trigonal bipyramid and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(10), one O(2), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(5), and one O(9) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(4), and one O(8) atom. In the fourth Se site, Se(4) is bonded in a 3-coordinate geometry to one O(12), one O(3), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ti(2) and one Se(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one Se(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Ti(2) and one Se(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ti(1) and one Se(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(2), and one Se(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(1) and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Se(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(2) and one Se(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one Se(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mg(1), one Ti(2), and one Se(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Ti(1) and one Se(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one Se(4) atom. is represented by the CIF file [CIF]
data_MgTi2(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.940
_cell_length_b   6.788
_cell_length_c   8.740
_cell_angle_alpha   89.871
_cell_angle_beta   87.105
_cell_angle_gamma   111.321
_symmetry_Int_Tables_number   1
_cell_volume   272.597
_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  0.049  0.534  0.143  1.0
  Ti  Ti1  1  0.032  0.517  0.510  1.0
  Ti  Ti2  1  0.484  0.021  0.995  1.0
  Se  Se3  1  0.682  0.842  0.318  1.0
  Se  Se4  1  0.773  0.671  0.845  1.0
  Se  Se5  1  0.317  0.180  0.638  1.0
  Se  Se6  1  0.381  0.296  0.227  1.0
  O  O7  1  0.718  0.907  0.849  1.0
  O  O8  1  0.817  0.634  0.323  1.0
  O  O9  1  0.184  0.051  0.134  1.0
  O  O10  1  0.233  0.410  0.649  1.0
  O  O11  1  0.074  0.716  0.955  1.0
  O  O12  1  0.394  0.764  0.453  1.0
  O  O13  1  0.090  0.363  0.340  1.0
  O  O14  1  0.384  0.167  0.826  1.0
  O  O15  1  0.940  0.700  0.661  1.0
  O  O16  1  0.490  0.779  0.150  1.0
  O  O17  1  0.665  0.282  0.557  1.0
  O  O18  1  0.750  0.249  0.068  1.0
[/CIF]
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