The structure described by Sc20O19 crystallizes in the tetragonal I4/m space group. There are five inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(3), one O(4), and three equivalent O(2) atoms to form ScO6 octahedra that share corners with five equivalent Sc(1)O6 octahedra,  a cornercorner with one Sc(4)O5 square pyramid, edges with two equivalent Sc(5)O6 octahedra, edges with three equivalent Sc(1)O6 octahedra, edges with three equivalent Sc(3)O6 octahedra,  an edgeedge with one Sc(4)O5 square pyramid, and edges with three equivalent Sc(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-4°. In the second Sc site, Sc(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form ScO5 square pyramids that share  a cornercorner with one Sc(5)O6 octahedra, corners with four equivalent Sc(3)O6 octahedra, corners with two equivalent Sc(2)O5 square pyramids, corners with two equivalent Sc(4)O5 square pyramids,  an edgeedge with one Sc(3)O6 octahedra,  an edgeedge with one Sc(5)O6 octahedra, and edges with six equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Sc site, Sc(3) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form ScO6 octahedra that share  a cornercorner with one Sc(3)O6 octahedra,  a cornercorner with one Sc(5)O6 octahedra, corners with four equivalent Sc(2)O5 square pyramids,  an edgeedge with one Sc(5)O6 octahedra, edges with two equivalent Sc(3)O6 octahedra, edges with six equivalent Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O5 square pyramid, and edges with two equivalent Sc(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Sc site, Sc(4) is bonded to one O(5) and four equivalent O(2) atoms to form ScO5 square pyramids that share corners with four equivalent Sc(1)O6 octahedra,  a cornercorner with one Sc(4)O5 square pyramid, corners with four equivalent Sc(2)O5 square pyramids, edges with four equivalent Sc(1)O6 octahedra, and edges with four equivalent Sc(3)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the fifth Sc site, Sc(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form ScO6 octahedra that share corners with two equivalent Sc(3)O6 octahedra, corners with two equivalent Sc(5)O6 octahedra, corners with two equivalent Sc(2)O5 square pyramids, edges with two equivalent Sc(3)O6 octahedra, edges with eight equivalent Sc(1)O6 octahedra, and edges with two equivalent Sc(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sc(2), one Sc(5), two equivalent Sc(1), and two equivalent Sc(3) atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Sc(2), one Sc(3), one Sc(4), and three equivalent Sc(1) atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Sc(3), one Sc(5), two equivalent Sc(1), and two equivalent Sc(2) atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to two equivalent Sc(5) and four equivalent Sc(1) atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to two equivalent Sc(4) and four equivalent Sc(3) atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles are 2°. is represented by the CIF card [CIF]
data_Sc20O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.382
_cell_length_b   8.382
_cell_length_c   8.382
_cell_angle_alpha   106.590
_cell_angle_beta   106.590
_cell_angle_gamma   115.402
_symmetry_Int_Tables_number   1
_cell_volume   449.719
_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  0.046  0.649  0.196  1.0
  Sc  Sc1  1  0.399  0.700  0.099  1.0
  Sc  Sc2  1  0.101  0.801  0.902  1.0
  Sc  Sc3  1  0.750  0.750  0.000  1.0
  Sc  Sc4  1  0.801  0.899  0.700  1.0
  Sc  Sc5  1  0.453  0.849  0.804  1.0
  Sc  Sc6  1  0.500  0.000  0.500  1.0
  Sc  Sc7  1  0.151  0.954  0.603  1.0
  Sc  Sc8  1  0.199  0.101  0.300  1.0
  Sc  Sc9  1  0.849  0.046  0.397  1.0
  Sc  Sc10  1  0.899  0.199  0.098  1.0
  Sc  Sc11  1  0.547  0.151  0.196  1.0
  Sc  Sc12  1  0.601  0.300  0.901  1.0
  Sc  Sc13  1  0.250  0.250  0.000  1.0
  Sc  Sc14  1  0.300  0.399  0.699  1.0
  Sc  Sc15  1  0.954  0.351  0.804  1.0
  Sc  Sc16  1  0.000  0.500  0.500  1.0
  Sc  Sc17  1  0.649  0.453  0.603  1.0
  Sc  Sc18  1  0.700  0.601  0.301  1.0
  Sc  Sc19  1  0.351  0.547  0.397  1.0
  O  O20  1  0.901  0.701  0.602  1.0
  O  O21  1  0.549  0.652  0.699  1.0
  O  O22  1  0.599  0.803  0.403  1.0
  O  O23  1  0.250  0.750  0.500  1.0
  O  O24  1  0.299  0.901  0.200  1.0
  O  O25  1  0.954  0.850  0.301  1.0
  O  O26  1  0.000  0.000  0.000  1.0
  O  O27  1  0.652  0.954  0.103  1.0
  O  O28  1  0.701  0.099  0.800  1.0
  O  O29  1  0.348  0.046  0.897  1.0
  O  O30  1  0.046  0.150  0.699  1.0
  O  O31  1  0.750  0.250  0.500  1.0
  O  O32  1  0.401  0.197  0.597  1.0
  O  O33  1  0.451  0.348  0.301  1.0
  O  O34  1  0.099  0.299  0.398  1.0
  O  O35  1  0.150  0.451  0.103  1.0
  O  O36  1  0.197  0.599  0.796  1.0
  O  O37  1  0.803  0.401  0.204  1.0
  O  O38  1  0.850  0.549  0.897  1.0
[/CIF]
.
The structure described by Sc20O19 crystallizes in the tetragonal I4/m space group. There are five inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(3), one O(4), and three equivalent O(2) atoms to form ScO6 octahedra that share corners with five equivalent Sc(1)O6 octahedra,  a cornercorner with one Sc(4)O5 square pyramid, edges with two equivalent Sc(5)O6 octahedra, edges with three equivalent Sc(1)O6 octahedra, edges with three equivalent Sc(3)O6 octahedra,  an edgeedge with one Sc(4)O5 square pyramid, and edges with three equivalent Sc(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-4°. In the second Sc site, Sc(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form ScO5 square pyramids that share  a cornercorner with one Sc(5)O6 octahedra, corners with four equivalent Sc(3)O6 octahedra, corners with two equivalent Sc(2)O5 square pyramids, corners with two equivalent Sc(4)O5 square pyramids,  an edgeedge with one Sc(3)O6 octahedra,  an edgeedge with one Sc(5)O6 octahedra, and edges with six equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Sc site, Sc(3) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form ScO6 octahedra that share  a cornercorner with one Sc(3)O6 octahedra,  a cornercorner with one Sc(5)O6 octahedra, corners with four equivalent Sc(2)O5 square pyramids,  an edgeedge with one Sc(5)O6 octahedra, edges with two equivalent Sc(3)O6 octahedra, edges with six equivalent Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O5 square pyramid, and edges with two equivalent Sc(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Sc site, Sc(4) is bonded to one O(5) and four equivalent O(2) atoms to form ScO5 square pyramids that share corners with four equivalent Sc(1)O6 octahedra,  a cornercorner with one Sc(4)O5 square pyramid, corners with four equivalent Sc(2)O5 square pyramids, edges with four equivalent Sc(1)O6 octahedra, and edges with four equivalent Sc(3)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the fifth Sc site, Sc(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form ScO6 octahedra that share corners with two equivalent Sc(3)O6 octahedra, corners with two equivalent Sc(5)O6 octahedra, corners with two equivalent Sc(2)O5 square pyramids, edges with two equivalent Sc(3)O6 octahedra, edges with eight equivalent Sc(1)O6 octahedra, and edges with two equivalent Sc(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sc(2), one Sc(5), two equivalent Sc(1), and two equivalent Sc(3) atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Sc(2), one Sc(3), one Sc(4), and three equivalent Sc(1) atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Sc(3), one Sc(5), two equivalent Sc(1), and two equivalent Sc(2) atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to two equivalent Sc(5) and four equivalent Sc(1) atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to two equivalent Sc(4) and four equivalent Sc(3) atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles are 2°. is represented by the CIF card [CIF]
data_Sc20O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.382
_cell_length_b   8.382
_cell_length_c   8.382
_cell_angle_alpha   106.590
_cell_angle_beta   106.590
_cell_angle_gamma   115.402
_symmetry_Int_Tables_number   1
_cell_volume   449.719
_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  0.046  0.649  0.196  1.0
  Sc  Sc1  1  0.399  0.700  0.099  1.0
  Sc  Sc2  1  0.101  0.801  0.902  1.0
  Sc  Sc3  1  0.750  0.750  0.000  1.0
  Sc  Sc4  1  0.801  0.899  0.700  1.0
  Sc  Sc5  1  0.453  0.849  0.804  1.0
  Sc  Sc6  1  0.500  0.000  0.500  1.0
  Sc  Sc7  1  0.151  0.954  0.603  1.0
  Sc  Sc8  1  0.199  0.101  0.300  1.0
  Sc  Sc9  1  0.849  0.046  0.397  1.0
  Sc  Sc10  1  0.899  0.199  0.098  1.0
  Sc  Sc11  1  0.547  0.151  0.196  1.0
  Sc  Sc12  1  0.601  0.300  0.901  1.0
  Sc  Sc13  1  0.250  0.250  0.000  1.0
  Sc  Sc14  1  0.300  0.399  0.699  1.0
  Sc  Sc15  1  0.954  0.351  0.804  1.0
  Sc  Sc16  1  0.000  0.500  0.500  1.0
  Sc  Sc17  1  0.649  0.453  0.603  1.0
  Sc  Sc18  1  0.700  0.601  0.301  1.0
  Sc  Sc19  1  0.351  0.547  0.397  1.0
  O  O20  1  0.901  0.701  0.602  1.0
  O  O21  1  0.549  0.652  0.699  1.0
  O  O22  1  0.599  0.803  0.403  1.0
  O  O23  1  0.250  0.750  0.500  1.0
  O  O24  1  0.299  0.901  0.200  1.0
  O  O25  1  0.954  0.850  0.301  1.0
  O  O26  1  0.000  0.000  0.000  1.0
  O  O27  1  0.652  0.954  0.103  1.0
  O  O28  1  0.701  0.099  0.800  1.0
  O  O29  1  0.348  0.046  0.897  1.0
  O  O30  1  0.046  0.150  0.699  1.0
  O  O31  1  0.750  0.250  0.500  1.0
  O  O32  1  0.401  0.197  0.597  1.0
  O  O33  1  0.451  0.348  0.301  1.0
  O  O34  1  0.099  0.299  0.398  1.0
  O  O35  1  0.150  0.451  0.103  1.0
  O  O36  1  0.197  0.599  0.796  1.0
  O  O37  1  0.803  0.401  0.204  1.0
  O  O38  1  0.850  0.549  0.897  1.0
[/CIF]
.