The structure described by Sc4Ti3O12 crystallizes in the triclinic P1 space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form distorted ScO7 pentagonal bipyramids that share  a cornercorner with one Ti(1)O6 octahedra and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(4), one O(6), one O(8), and one O(9) atom. In the third Sc site, Sc(3) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom. In the fourth Sc site, Sc(4) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Sc(1)O7 pentagonal bipyramid and  an edgeedge with one Sc(1)O7 pentagonal bipyramid. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(8) atom. In the third Ti site, Ti(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(5), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(3), one Ti(1), and one Ti(3) atom. In the third O site, O(3) is bonded to one Sc(1), one Sc(4), one Ti(1), and one Ti(2) atom to form distorted OSc2Ti2 trigonal pyramids that share  a cornercorner with one O(7)Sc3Ti tetrahedra,  a cornercorner with one O(9)Sc3Ti tetrahedra, corners with two equivalent O(10)Sc3Ti tetrahedra, corners with two equivalent O(11)Sc3Ti tetrahedra,  a cornercorner with one O(6)Sc3Ti trigonal pyramid, corners with two equivalent O(12)Sc2Ti2 trigonal pyramids,  an edgeedge with one O(8)Sc2Ti2 tetrahedra,  an edgeedge with one O(7)Sc3Ti tetrahedra, and  an edgeedge with one O(6)Sc3Ti trigonal pyramid. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sc(2), one Sc(3), and one Ti(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sc(3), one Sc(4), one Ti(1), and one Ti(3) atom. In the sixth O site, O(6) is bonded to one Sc(1), one Sc(2), one Sc(4), and one Ti(1) atom to form distorted OSc3Ti trigonal pyramids that share  a cornercorner with one O(10)Sc3Ti tetrahedra, corners with two equivalent O(8)Sc2Ti2 tetrahedra, corners with two equivalent O(7)Sc3Ti tetrahedra, corners with two equivalent O(9)Sc3Ti tetrahedra,  a cornercorner with one O(12)Sc2Ti2 trigonal pyramid,  a cornercorner with one O(3)Sc2Ti2 trigonal pyramid,  an edgeedge with one O(10)Sc3Ti tetrahedra,  an edgeedge with one O(11)Sc3Ti tetrahedra, and  an edgeedge with one O(3)Sc2Ti2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Sc(1), one Sc(3), one Sc(4), and one Ti(2) atom to form OSc3Ti tetrahedra that share  a cornercorner with one O(11)Sc3Ti tetrahedra, corners with two equivalent O(8)Sc2Ti2 tetrahedra, corners with two equivalent O(9)Sc3Ti tetrahedra,  a cornercorner with one O(12)Sc2Ti2 trigonal pyramid,  a cornercorner with one O(3)Sc2Ti2 trigonal pyramid, corners with two equivalent O(6)Sc3Ti trigonal pyramids,  an edgeedge with one O(10)Sc3Ti tetrahedra,  an edgeedge with one O(11)Sc3Ti tetrahedra,  an edgeedge with one O(12)Sc2Ti2 trigonal pyramid, and  an edgeedge with one O(3)Sc2Ti2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Sc(2), one Sc(4), one Ti(2), and one Ti(3) atom to form OSc2Ti2 tetrahedra that share  a cornercorner with one O(10)Sc3Ti tetrahedra, corners with two equivalent O(7)Sc3Ti tetrahedra, corners with two equivalent O(9)Sc3Ti tetrahedra,  a cornercorner with one O(12)Sc2Ti2 trigonal pyramid, corners with two equivalent O(6)Sc3Ti trigonal pyramids,  an edgeedge with one O(10)Sc3Ti tetrahedra,  an edgeedge with one O(11)Sc3Ti tetrahedra,  an edgeedge with one O(12)Sc2Ti2 trigonal pyramid, and  an edgeedge with one O(3)Sc2Ti2 trigonal pyramid. In the ninth O site, O(9) is bonded to one Sc(1), one Sc(2), one Sc(3), and one Ti(3) atom to form OSc3Ti tetrahedra that share  a cornercorner with one O(10)Sc3Ti tetrahedra,  a cornercorner with one O(11)Sc3Ti tetrahedra, corners with two equivalent O(8)Sc2Ti2 tetrahedra, corners with two equivalent O(7)Sc3Ti tetrahedra,  a cornercorner with one O(3)Sc2Ti2 trigonal pyramid, corners with two equivalent O(6)Sc3Ti trigonal pyramids,  an edgeedge with one O(10)Sc3Ti tetrahedra,  an edgeedge with one O(11)Sc3Ti tetrahedra, and  an edgeedge with one O(12)Sc2Ti2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Sc(1), one Sc(2), one Sc(4), and one Ti(3) atom to form distorted OSc3Ti tetrahedra that share  a cornercorner with one O(8)Sc2Ti2 tetrahedra,  a cornercorner with one O(9)Sc3Ti tetrahedra, corners with two equivalent O(11)Sc3Ti tetrahedra,  a cornercorner with one O(6)Sc3Ti trigonal pyramid, corners with two equivalent O(12)Sc2Ti2 trigonal pyramids, corners with two equivalent O(3)Sc2Ti2 trigonal pyramids,  an edgeedge with one O(8)Sc2Ti2 tetrahedra,  an edgeedge with one O(7)Sc3Ti tetrahedra,  an edgeedge with one O(9)Sc3Ti tetrahedra, and  an edgeedge with one O(6)Sc3Ti trigonal pyramid. In the eleventh O site, O(11) is bonded to one Sc(1), one Sc(2), one Sc(3), and one Ti(2) atom to form distorted OSc3Ti tetrahedra that share  a cornercorner with one O(7)Sc3Ti tetrahedra,  a cornercorner with one O(9)Sc3Ti tetrahedra, corners with two equivalent O(10)Sc3Ti tetrahedra, corners with two equivalent O(12)Sc2Ti2 trigonal pyramids, corners with two equivalent O(3)Sc2Ti2 trigonal pyramids,  an edgeedge with one O(8)Sc2Ti2 tetrahedra,  an edgeedge with one O(7)Sc3Ti tetrahedra,  an edgeedge with one O(9)Sc3Ti tetrahedra, and  an edgeedge with one O(6)Sc3Ti trigonal pyramid. In the twelfth O site, O(12) is bonded to one Sc(3), one Sc(4), one Ti(2), and one Ti(3) atom to form distorted OSc2Ti2 trigonal pyramids that share  a cornercorner with one O(8)Sc2Ti2 tetrahedra,  a cornercorner with one O(7)Sc3Ti tetrahedra, corners with two equivalent O(10)Sc3Ti tetrahedra, corners with two equivalent O(11)Sc3Ti tetrahedra,  a cornercorner with one O(6)Sc3Ti trigonal pyramid, corners with two equivalent O(3)Sc2Ti2 trigonal pyramids,  an edgeedge with one O(8)Sc2Ti2 tetrahedra,  an edgeedge with one O(7)Sc3Ti tetrahedra, and  an edgeedge with one O(9)Sc3Ti tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc4Ti3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.929
_cell_length_b   6.056
_cell_length_c   6.080
_cell_angle_alpha   98.979
_cell_angle_beta   99.492
_cell_angle_gamma   98.930
_symmetry_Int_Tables_number   1
_cell_volume   208.991
_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
  Sc  Sc0  1  0.302  0.615  0.134  1.0
  Sc  Sc1  1  0.857  0.680  0.391  1.0
  Sc  Sc2  1  0.393  0.861  0.685  1.0
  Sc  Sc3  1  0.694  0.388  0.868  1.0
  Ti  Ti4  1  0.002  0.996  0.990  1.0
  Ti  Ti5  1  0.144  0.325  0.609  1.0
  Ti  Ti6  1  0.615  0.143  0.317  1.0
  O  O7  1  0.940  0.107  0.320  1.0
  O  O8  1  0.323  0.971  0.105  1.0
  O  O9  1  0.090  0.311  0.922  1.0
  O  O10  1  0.048  0.897  0.692  1.0
  O  O11  1  0.688  0.049  0.912  1.0
  O  O12  1  0.925  0.689  0.061  1.0
  O  O13  1  0.416  0.575  0.822  1.0
  O  O14  1  0.819  0.404  0.576  1.0
  O  O15  1  0.577  0.834  0.413  1.0
  O  O16  1  0.579  0.409  0.188  1.0
  O  O17  1  0.182  0.561  0.429  1.0
  O  O18  1  0.406  0.184  0.565  1.0
[/CIF]
.
The structure described by Sc4Ti3O12 crystallizes in the triclinic P1 space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form distorted ScO7 pentagonal bipyramids that share  a cornercorner with one Ti(1)O6 octahedra and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(4), one O(6), one O(8), and one O(9) atom. In the third Sc site, Sc(3) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom. In the fourth Sc site, Sc(4) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Sc(1)O7 pentagonal bipyramid and  an edgeedge with one Sc(1)O7 pentagonal bipyramid. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(8) atom. In the third Ti site, Ti(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(5), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(3), one Ti(1), and one Ti(3) atom. In the third O site, O(3) is bonded to one Sc(1), one Sc(4), one Ti(1), and one Ti(2) atom to form distorted OSc2Ti2 trigonal pyramids that share  a cornercorner with one O(7)Sc3Ti tetrahedra,  a cornercorner with one O(9)Sc3Ti tetrahedra, corners with two equivalent O(10)Sc3Ti tetrahedra, corners with two equivalent O(11)Sc3Ti tetrahedra,  a cornercorner with one O(6)Sc3Ti trigonal pyramid, corners with two equivalent O(12)Sc2Ti2 trigonal pyramids,  an edgeedge with one O(8)Sc2Ti2 tetrahedra,  an edgeedge with one O(7)Sc3Ti tetrahedra, and  an edgeedge with one O(6)Sc3Ti trigonal pyramid. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sc(2), one Sc(3), and one Ti(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sc(3), one Sc(4), one Ti(1), and one Ti(3) atom. In the sixth O site, O(6) is bonded to one Sc(1), one Sc(2), one Sc(4), and one Ti(1) atom to form distorted OSc3Ti trigonal pyramids that share  a cornercorner with one O(10)Sc3Ti tetrahedra, corners with two equivalent O(8)Sc2Ti2 tetrahedra, corners with two equivalent O(7)Sc3Ti tetrahedra, corners with two equivalent O(9)Sc3Ti tetrahedra,  a cornercorner with one O(12)Sc2Ti2 trigonal pyramid,  a cornercorner with one O(3)Sc2Ti2 trigonal pyramid,  an edgeedge with one O(10)Sc3Ti tetrahedra,  an edgeedge with one O(11)Sc3Ti tetrahedra, and  an edgeedge with one O(3)Sc2Ti2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Sc(1), one Sc(3), one Sc(4), and one Ti(2) atom to form OSc3Ti tetrahedra that share  a cornercorner with one O(11)Sc3Ti tetrahedra, corners with two equivalent O(8)Sc2Ti2 tetrahedra, corners with two equivalent O(9)Sc3Ti tetrahedra,  a cornercorner with one O(12)Sc2Ti2 trigonal pyramid,  a cornercorner with one O(3)Sc2Ti2 trigonal pyramid, corners with two equivalent O(6)Sc3Ti trigonal pyramids,  an edgeedge with one O(10)Sc3Ti tetrahedra,  an edgeedge with one O(11)Sc3Ti tetrahedra,  an edgeedge with one O(12)Sc2Ti2 trigonal pyramid, and  an edgeedge with one O(3)Sc2Ti2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Sc(2), one Sc(4), one Ti(2), and one Ti(3) atom to form OSc2Ti2 tetrahedra that share  a cornercorner with one O(10)Sc3Ti tetrahedra, corners with two equivalent O(7)Sc3Ti tetrahedra, corners with two equivalent O(9)Sc3Ti tetrahedra,  a cornercorner with one O(12)Sc2Ti2 trigonal pyramid, corners with two equivalent O(6)Sc3Ti trigonal pyramids,  an edgeedge with one O(10)Sc3Ti tetrahedra,  an edgeedge with one O(11)Sc3Ti tetrahedra,  an edgeedge with one O(12)Sc2Ti2 trigonal pyramid, and  an edgeedge with one O(3)Sc2Ti2 trigonal pyramid. In the ninth O site, O(9) is bonded to one Sc(1), one Sc(2), one Sc(3), and one Ti(3) atom to form OSc3Ti tetrahedra that share  a cornercorner with one O(10)Sc3Ti tetrahedra,  a cornercorner with one O(11)Sc3Ti tetrahedra, corners with two equivalent O(8)Sc2Ti2 tetrahedra, corners with two equivalent O(7)Sc3Ti tetrahedra,  a cornercorner with one O(3)Sc2Ti2 trigonal pyramid, corners with two equivalent O(6)Sc3Ti trigonal pyramids,  an edgeedge with one O(10)Sc3Ti tetrahedra,  an edgeedge with one O(11)Sc3Ti tetrahedra, and  an edgeedge with one O(12)Sc2Ti2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Sc(1), one Sc(2), one Sc(4), and one Ti(3) atom to form distorted OSc3Ti tetrahedra that share  a cornercorner with one O(8)Sc2Ti2 tetrahedra,  a cornercorner with one O(9)Sc3Ti tetrahedra, corners with two equivalent O(11)Sc3Ti tetrahedra,  a cornercorner with one O(6)Sc3Ti trigonal pyramid, corners with two equivalent O(12)Sc2Ti2 trigonal pyramids, corners with two equivalent O(3)Sc2Ti2 trigonal pyramids,  an edgeedge with one O(8)Sc2Ti2 tetrahedra,  an edgeedge with one O(7)Sc3Ti tetrahedra,  an edgeedge with one O(9)Sc3Ti tetrahedra, and  an edgeedge with one O(6)Sc3Ti trigonal pyramid. In the eleventh O site, O(11) is bonded to one Sc(1), one Sc(2), one Sc(3), and one Ti(2) atom to form distorted OSc3Ti tetrahedra that share  a cornercorner with one O(7)Sc3Ti tetrahedra,  a cornercorner with one O(9)Sc3Ti tetrahedra, corners with two equivalent O(10)Sc3Ti tetrahedra, corners with two equivalent O(12)Sc2Ti2 trigonal pyramids, corners with two equivalent O(3)Sc2Ti2 trigonal pyramids,  an edgeedge with one O(8)Sc2Ti2 tetrahedra,  an edgeedge with one O(7)Sc3Ti tetrahedra,  an edgeedge with one O(9)Sc3Ti tetrahedra, and  an edgeedge with one O(6)Sc3Ti trigonal pyramid. In the twelfth O site, O(12) is bonded to one Sc(3), one Sc(4), one Ti(2), and one Ti(3) atom to form distorted OSc2Ti2 trigonal pyramids that share  a cornercorner with one O(8)Sc2Ti2 tetrahedra,  a cornercorner with one O(7)Sc3Ti tetrahedra, corners with two equivalent O(10)Sc3Ti tetrahedra, corners with two equivalent O(11)Sc3Ti tetrahedra,  a cornercorner with one O(6)Sc3Ti trigonal pyramid, corners with two equivalent O(3)Sc2Ti2 trigonal pyramids,  an edgeedge with one O(8)Sc2Ti2 tetrahedra,  an edgeedge with one O(7)Sc3Ti tetrahedra, and  an edgeedge with one O(9)Sc3Ti tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc4Ti3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.929
_cell_length_b   6.056
_cell_length_c   6.080
_cell_angle_alpha   98.979
_cell_angle_beta   99.492
_cell_angle_gamma   98.930
_symmetry_Int_Tables_number   1
_cell_volume   208.991
_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
  Sc  Sc0  1  0.302  0.615  0.134  1.0
  Sc  Sc1  1  0.857  0.680  0.391  1.0
  Sc  Sc2  1  0.393  0.861  0.685  1.0
  Sc  Sc3  1  0.694  0.388  0.868  1.0
  Ti  Ti4  1  0.002  0.996  0.990  1.0
  Ti  Ti5  1  0.144  0.325  0.609  1.0
  Ti  Ti6  1  0.615  0.143  0.317  1.0
  O  O7  1  0.940  0.107  0.320  1.0
  O  O8  1  0.323  0.971  0.105  1.0
  O  O9  1  0.090  0.311  0.922  1.0
  O  O10  1  0.048  0.897  0.692  1.0
  O  O11  1  0.688  0.049  0.912  1.0
  O  O12  1  0.925  0.689  0.061  1.0
  O  O13  1  0.416  0.575  0.822  1.0
  O  O14  1  0.819  0.404  0.576  1.0
  O  O15  1  0.577  0.834  0.413  1.0
  O  O16  1  0.579  0.409  0.188  1.0
  O  O17  1  0.182  0.561  0.429  1.0
  O  O18  1  0.406  0.184  0.565  1.0
[/CIF]
.