The material described by MgSc4Ti2O10 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(10), one O(2), one O(6), and two equivalent O(5) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, edges with two equivalent Sc(2)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with two equivalent Sc(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(3), one O(5), one O(8), and two equivalent O(10) atoms to form distorted ScO5 trigonal bipyramids that share  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Sc(1)O5 trigonal bipyramids,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 56-72°. 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 ScO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Sc(1)O5 trigonal bipyramid, corners with three equivalent Sc(4)O5 trigonal bipyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 26-27°. 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 distorted ScO5 trigonal bipyramids that share corners with three equivalent Sc(2)O6 octahedra, corners with two equivalent Sc(4)O5 trigonal bipyramids, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-71°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(4), one O(9), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Sc(1)O5 trigonal bipyramid,  an edgeedge with one Sc(2)O6 octahedra, and edges with three equivalent Sc(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 31°. 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, corners with two equivalent Sc(1)O5 trigonal bipyramids, edges with two equivalent Sc(2)O6 octahedra,  an edgeedge with one Sc(1)O5 trigonal bipyramid, and edges with three equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 23-26°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Sc(2), one Sc(4), and one Ti(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(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,  a cornercorner with one O(4)Sc3Ti trigonal pyramid, edges with two equivalent O(10)MgSc3Ti trigonal bipyramids, and edges with two equivalent O(7)Sc2Ti2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Sc(2), two equivalent Sc(4), and one Ti(1) atom to form OSc3Ti trigonal pyramids that share  a cornercorner with one O(3)Sc3Ti tetrahedra,  a cornercorner with one O(5)Mg2Sc2Ti trigonal bipyramid, corners with two equivalent O(6)MgSc2Ti trigonal pyramids, corners with two equivalent O(4)Sc3Ti trigonal pyramids, and edges 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,  a cornercorner with one O(10)MgSc3Ti trigonal bipyramid, corners with two equivalent O(5)Mg2Sc2Ti trigonal bipyramids,  a cornercorner with one O(6)MgSc2Ti trigonal pyramid,  a cornercorner with one O(4)Sc3Ti trigonal pyramid, edges with two equivalent O(10)MgSc3Ti trigonal bipyramids, and edges with two equivalent O(6)MgSc2Ti trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), two equivalent Sc(2), and one Ti(2) atom to form distorted OMgSc2Ti trigonal pyramids that share  a cornercorner with one O(5)Mg2Sc2Ti trigonal bipyramid, corners with two equivalent O(6)MgSc2Ti trigonal pyramids, corners with two equivalent O(4)Sc3Ti trigonal pyramids,  an edgeedge with one O(10)MgSc3Ti trigonal bipyramid, and edges with two equivalent O(5)Mg2Sc2Ti trigonal bipyramids. 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  a cornercorner with one O(10)MgSc3Ti trigonal bipyramid, corners with two equivalent O(7)Sc2Ti2 trigonal pyramids, edges with two equivalent O(3)Sc3Ti tetrahedra, and edges with two equivalent O(4)Sc3Ti trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Sc(1), one Sc(3), and one Ti(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Sc(3), one Sc(4), and one Ti(1) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Sc(3), two equivalent Sc(1), and one Ti(2) atom to form distorted OMgSc3Ti trigonal bipyramids that share  a cornercorner with one O(5)Mg2Sc2Ti trigonal bipyramid, corners with two equivalent O(10)MgSc3Ti trigonal bipyramids,  a cornercorner with one O(7)Sc2Ti2 trigonal pyramid, edges with two equivalent O(3)Sc3Ti tetrahedra, edges with two equivalent O(5)Mg2Sc2Ti trigonal bipyramids, and  an edgeedge with one O(6)MgSc2Ti trigonal pyramid. is represented by the CIF card [CIF]
data_MgSc4Ti2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.963
_cell_length_b   5.516
_cell_length_c   10.685
_cell_angle_alpha   91.514
_cell_angle_beta   90.001
_cell_angle_gamma   111.046
_symmetry_Int_Tables_number   1
_cell_volume   217.874
_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  0.955  0.910  0.614  1.0
  Sc  Sc1  1  0.382  0.764  0.409  1.0
  Sc  Sc2  1  0.297  0.594  0.755  1.0
  Sc  Sc3  1  0.692  0.384  0.235  1.0
  Sc  Sc4  1  0.625  0.250  0.949  1.0
  Ti  Ti5  1  0.353  0.706  0.050  1.0
  Ti  Ti6  1  0.655  0.311  0.549  1.0
  O  O7  1  0.441  0.882  0.886  1.0
  O  O8  1  0.153  0.306  0.587  1.0
  O  O9  1  0.270  0.540  0.245  1.0
  O  O10  1  0.181  0.362  0.910  1.0
  O  O11  1  0.455  0.911  0.608  1.0
  O  O12  1  0.784  0.568  0.712  1.0
  O  O13  1  0.803  0.606  0.065  1.0
  O  O14  1  0.570  0.140  0.382  1.0
  O  O15  1  0.537  0.074  0.115  1.0
  O  O16  1  0.833  0.666  0.446  1.0
[/CIF]
.
The material described by MgSc4Ti2O10 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(10), one O(2), one O(6), and two equivalent O(5) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, edges with two equivalent Sc(2)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with two equivalent Sc(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(3), one O(5), one O(8), and two equivalent O(10) atoms to form distorted ScO5 trigonal bipyramids that share  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Sc(1)O5 trigonal bipyramids,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 56-72°. 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 ScO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Sc(1)O5 trigonal bipyramid, corners with three equivalent Sc(4)O5 trigonal bipyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 26-27°. 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 distorted ScO5 trigonal bipyramids that share corners with three equivalent Sc(2)O6 octahedra, corners with two equivalent Sc(4)O5 trigonal bipyramids, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-71°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(4), one O(9), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Sc(1)O5 trigonal bipyramid,  an edgeedge with one Sc(2)O6 octahedra, and edges with three equivalent Sc(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 31°. 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, corners with two equivalent Sc(1)O5 trigonal bipyramids, edges with two equivalent Sc(2)O6 octahedra,  an edgeedge with one Sc(1)O5 trigonal bipyramid, and edges with three equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 23-26°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Sc(2), one Sc(4), and one Ti(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(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,  a cornercorner with one O(4)Sc3Ti trigonal pyramid, edges with two equivalent O(10)MgSc3Ti trigonal bipyramids, and edges with two equivalent O(7)Sc2Ti2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Sc(2), two equivalent Sc(4), and one Ti(1) atom to form OSc3Ti trigonal pyramids that share  a cornercorner with one O(3)Sc3Ti tetrahedra,  a cornercorner with one O(5)Mg2Sc2Ti trigonal bipyramid, corners with two equivalent O(6)MgSc2Ti trigonal pyramids, corners with two equivalent O(4)Sc3Ti trigonal pyramids, and edges 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,  a cornercorner with one O(10)MgSc3Ti trigonal bipyramid, corners with two equivalent O(5)Mg2Sc2Ti trigonal bipyramids,  a cornercorner with one O(6)MgSc2Ti trigonal pyramid,  a cornercorner with one O(4)Sc3Ti trigonal pyramid, edges with two equivalent O(10)MgSc3Ti trigonal bipyramids, and edges with two equivalent O(6)MgSc2Ti trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), two equivalent Sc(2), and one Ti(2) atom to form distorted OMgSc2Ti trigonal pyramids that share  a cornercorner with one O(5)Mg2Sc2Ti trigonal bipyramid, corners with two equivalent O(6)MgSc2Ti trigonal pyramids, corners with two equivalent O(4)Sc3Ti trigonal pyramids,  an edgeedge with one O(10)MgSc3Ti trigonal bipyramid, and edges with two equivalent O(5)Mg2Sc2Ti trigonal bipyramids. 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  a cornercorner with one O(10)MgSc3Ti trigonal bipyramid, corners with two equivalent O(7)Sc2Ti2 trigonal pyramids, edges with two equivalent O(3)Sc3Ti tetrahedra, and edges with two equivalent O(4)Sc3Ti trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Sc(1), one Sc(3), and one Ti(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Sc(3), one Sc(4), and one Ti(1) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Sc(3), two equivalent Sc(1), and one Ti(2) atom to form distorted OMgSc3Ti trigonal bipyramids that share  a cornercorner with one O(5)Mg2Sc2Ti trigonal bipyramid, corners with two equivalent O(10)MgSc3Ti trigonal bipyramids,  a cornercorner with one O(7)Sc2Ti2 trigonal pyramid, edges with two equivalent O(3)Sc3Ti tetrahedra, edges with two equivalent O(5)Mg2Sc2Ti trigonal bipyramids, and  an edgeedge with one O(6)MgSc2Ti trigonal pyramid. is represented by the CIF card [CIF]
data_MgSc4Ti2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.963
_cell_length_b   5.516
_cell_length_c   10.685
_cell_angle_alpha   91.514
_cell_angle_beta   90.001
_cell_angle_gamma   111.046
_symmetry_Int_Tables_number   1
_cell_volume   217.874
_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  0.955  0.910  0.614  1.0
  Sc  Sc1  1  0.382  0.764  0.409  1.0
  Sc  Sc2  1  0.297  0.594  0.755  1.0
  Sc  Sc3  1  0.692  0.384  0.235  1.0
  Sc  Sc4  1  0.625  0.250  0.949  1.0
  Ti  Ti5  1  0.353  0.706  0.050  1.0
  Ti  Ti6  1  0.655  0.311  0.549  1.0
  O  O7  1  0.441  0.882  0.886  1.0
  O  O8  1  0.153  0.306  0.587  1.0
  O  O9  1  0.270  0.540  0.245  1.0
  O  O10  1  0.181  0.362  0.910  1.0
  O  O11  1  0.455  0.911  0.608  1.0
  O  O12  1  0.784  0.568  0.712  1.0
  O  O13  1  0.803  0.606  0.065  1.0
  O  O14  1  0.570  0.140  0.382  1.0
  O  O15  1  0.537  0.074  0.115  1.0
  O  O16  1  0.833  0.666  0.446  1.0
[/CIF]
.