The compound described by MgSc4Ti2O10 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, corners with two equivalent Sc(4)O5 trigonal bipyramids, edges with two equivalent Ti(2)O6 octahedra, and edges with three equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(8), and two equivalent O(10) atoms. In the second Sc site, Sc(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form distorted ScO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one Ti(1)O5 trigonal bipyramid, corners with three equivalent Sc(4)O5 trigonal bipyramids, edges with two equivalent Ti(2)O6 octahedra, and edges with three equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-28°. In the third Sc site, Sc(3) is bonded in a 6-coordinate geometry to one O(10), one O(7), one O(8), one O(9), and two equivalent O(3) atoms. In the fourth Sc site, Sc(4) is bonded to one O(1), one O(7), one O(9), and two equivalent O(4) atoms to form ScO5 trigonal bipyramids that share corners with three equivalent Sc(2)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, corners with two equivalent Sc(4)O5 trigonal bipyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-72°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(9), and two equivalent O(7) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Sc(4)O5 trigonal bipyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Sc(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 59°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form TiO6 octahedra that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with two equivalent Sc(2)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-21°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(2), one Sc(4), and one Ti(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Sc(1), one Sc(2), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded to one Sc(1), two equivalent Sc(3), and one Ti(1) atom to form distorted OSc3Ti tetrahedra that share corners with two equivalent O(3)Sc3Ti tetrahedra,  a cornercorner with one O(5)Mg2Sc2Ti trigonal bipyramid, edges with two equivalent O(7)Sc2Ti2 trigonal pyramids, and edges with two equivalent O(10)Sc3Ti trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Sc(2), and two equivalent Sc(4) atoms to form OMgSc3 tetrahedra that share corners with two equivalent O(4)MgSc3 tetrahedra, corners with three equivalent O(5)Mg2Sc2Ti trigonal bipyramids, and corners with two equivalent O(7)Sc2Ti2 trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Mg(1), one Sc(1), one Sc(2), and one Ti(2) atom to form OMg2Sc2Ti trigonal bipyramids that share  a cornercorner with one O(3)Sc3Ti tetrahedra, corners with three equivalent O(4)MgSc3 tetrahedra, corners with two equivalent O(5)Mg2Sc2Ti trigonal bipyramids, and corners with three equivalent O(10)Sc3Ti trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), two equivalent Sc(2), and one Ti(2) atom. In the seventh O site, O(7) is bonded to one Sc(3), one Sc(4), and two equivalent Ti(1) atoms to form OSc2Ti2 trigonal pyramids that share corners with two equivalent O(4)MgSc3 tetrahedra,  a cornercorner with one O(10)Sc3Ti trigonal pyramid, corners with two equivalent O(7)Sc2Ti2 trigonal pyramids, and edges with two equivalent O(3)Sc3Ti tetrahedra. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Sc(1), one Sc(3), and one Ti(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Sc(3), one Sc(4), and one Ti(1) atom. In the tenth O site, O(10) is bonded to one Sc(3), two equivalent Sc(1), and one Ti(2) atom to form OSc3Ti trigonal pyramids that share corners with three equivalent O(5)Mg2Sc2Ti trigonal bipyramids,  a cornercorner with one O(7)Sc2Ti2 trigonal pyramid, corners with two equivalent O(10)Sc3Ti trigonal pyramids, and edges with two equivalent O(3)Sc3Ti tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSc4Ti2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.894
_cell_length_b   5.588
_cell_length_c   10.592
_cell_angle_alpha   93.322
_cell_angle_beta   90.116
_cell_angle_gamma   110.569
_symmetry_Int_Tables_number   1
_cell_volume   215.347
_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  0.002  0.002  0.697  1.0
  Sc  Sc1  1  0.386  0.772  0.443  1.0
  Sc  Sc2  1  0.298  0.593  0.762  1.0
  Sc  Sc3  1  0.696  0.399  0.258  1.0
  Sc  Sc4  1  0.611  0.222  0.951  1.0
  Ti  Ti5  1  0.374  0.729  0.088  1.0
  Ti  Ti6  1  0.663  0.326  0.553  1.0
  O  O7  1  0.430  0.844  0.911  1.0
  O  O8  1  0.172  0.342  0.587  1.0
  O  O9  1  0.273  0.551  0.259  1.0
  O  O10  1  0.132  0.258  0.863  1.0
  O  O11  1  0.478  0.954  0.636  1.0
  O  O12  1  0.804  0.605  0.717  1.0
  O  O13  1  0.787  0.584  0.075  1.0
  O  O14  1  0.564  0.126  0.390  1.0
  O  O15  1  0.526  0.086  0.126  1.0
  O  O16  1  0.821  0.643  0.442  1.0
[/CIF]
.
The compound described by MgSc4Ti2O10 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, corners with two equivalent Sc(4)O5 trigonal bipyramids, edges with two equivalent Ti(2)O6 octahedra, and edges with three equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(8), and two equivalent O(10) atoms. In the second Sc site, Sc(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form distorted ScO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one Ti(1)O5 trigonal bipyramid, corners with three equivalent Sc(4)O5 trigonal bipyramids, edges with two equivalent Ti(2)O6 octahedra, and edges with three equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-28°. In the third Sc site, Sc(3) is bonded in a 6-coordinate geometry to one O(10), one O(7), one O(8), one O(9), and two equivalent O(3) atoms. In the fourth Sc site, Sc(4) is bonded to one O(1), one O(7), one O(9), and two equivalent O(4) atoms to form ScO5 trigonal bipyramids that share corners with three equivalent Sc(2)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, corners with two equivalent Sc(4)O5 trigonal bipyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-72°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(9), and two equivalent O(7) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Sc(4)O5 trigonal bipyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Sc(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 59°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form TiO6 octahedra that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with two equivalent Sc(2)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-21°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(2), one Sc(4), and one Ti(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Sc(1), one Sc(2), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded to one Sc(1), two equivalent Sc(3), and one Ti(1) atom to form distorted OSc3Ti tetrahedra that share corners with two equivalent O(3)Sc3Ti tetrahedra,  a cornercorner with one O(5)Mg2Sc2Ti trigonal bipyramid, edges with two equivalent O(7)Sc2Ti2 trigonal pyramids, and edges with two equivalent O(10)Sc3Ti trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Sc(2), and two equivalent Sc(4) atoms to form OMgSc3 tetrahedra that share corners with two equivalent O(4)MgSc3 tetrahedra, corners with three equivalent O(5)Mg2Sc2Ti trigonal bipyramids, and corners with two equivalent O(7)Sc2Ti2 trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Mg(1), one Sc(1), one Sc(2), and one Ti(2) atom to form OMg2Sc2Ti trigonal bipyramids that share  a cornercorner with one O(3)Sc3Ti tetrahedra, corners with three equivalent O(4)MgSc3 tetrahedra, corners with two equivalent O(5)Mg2Sc2Ti trigonal bipyramids, and corners with three equivalent O(10)Sc3Ti trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), two equivalent Sc(2), and one Ti(2) atom. In the seventh O site, O(7) is bonded to one Sc(3), one Sc(4), and two equivalent Ti(1) atoms to form OSc2Ti2 trigonal pyramids that share corners with two equivalent O(4)MgSc3 tetrahedra,  a cornercorner with one O(10)Sc3Ti trigonal pyramid, corners with two equivalent O(7)Sc2Ti2 trigonal pyramids, and edges with two equivalent O(3)Sc3Ti tetrahedra. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Sc(1), one Sc(3), and one Ti(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Sc(3), one Sc(4), and one Ti(1) atom. In the tenth O site, O(10) is bonded to one Sc(3), two equivalent Sc(1), and one Ti(2) atom to form OSc3Ti trigonal pyramids that share corners with three equivalent O(5)Mg2Sc2Ti trigonal bipyramids,  a cornercorner with one O(7)Sc2Ti2 trigonal pyramid, corners with two equivalent O(10)Sc3Ti trigonal pyramids, and edges with two equivalent O(3)Sc3Ti tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSc4Ti2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.894
_cell_length_b   5.588
_cell_length_c   10.592
_cell_angle_alpha   93.322
_cell_angle_beta   90.116
_cell_angle_gamma   110.569
_symmetry_Int_Tables_number   1
_cell_volume   215.347
_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  0.002  0.002  0.697  1.0
  Sc  Sc1  1  0.386  0.772  0.443  1.0
  Sc  Sc2  1  0.298  0.593  0.762  1.0
  Sc  Sc3  1  0.696  0.399  0.258  1.0
  Sc  Sc4  1  0.611  0.222  0.951  1.0
  Ti  Ti5  1  0.374  0.729  0.088  1.0
  Ti  Ti6  1  0.663  0.326  0.553  1.0
  O  O7  1  0.430  0.844  0.911  1.0
  O  O8  1  0.172  0.342  0.587  1.0
  O  O9  1  0.273  0.551  0.259  1.0
  O  O10  1  0.132  0.258  0.863  1.0
  O  O11  1  0.478  0.954  0.636  1.0
  O  O12  1  0.804  0.605  0.717  1.0
  O  O13  1  0.787  0.584  0.075  1.0
  O  O14  1  0.564  0.126  0.390  1.0
  O  O15  1  0.526  0.086  0.126  1.0
  O  O16  1  0.821  0.643  0.442  1.0
[/CIF]
.