The structure described by Sc2(SO4)3 crystallizes in the trigonal R-3c space group. Sc(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-27°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. is represented by the CIF file [CIF]
data_Sc2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.097
_cell_length_b   9.097
_cell_length_c   9.097
_cell_angle_alpha   57.700
_cell_angle_beta   57.700
_cell_angle_gamma   57.700
_symmetry_Int_Tables_number   1
_cell_volume   504.115
_cell_formula_units_Z   2
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  0.144  0.144  0.144  1.0
  Sc  Sc1  1  0.856  0.856  0.856  1.0
  Sc  Sc2  1  0.356  0.356  0.356  1.0
  Sc  Sc3  1  0.644  0.644  0.644  1.0
  S  S4  1  0.037  0.463  0.750  1.0
  S  S5  1  0.463  0.750  0.037  1.0
  S  S6  1  0.750  0.037  0.463  1.0
  S  S7  1  0.963  0.537  0.250  1.0
  S  S8  1  0.250  0.963  0.537  1.0
  S  S9  1  0.537  0.250  0.963  1.0
  O  O10  1  0.228  0.992  0.374  1.0
  O  O11  1  0.374  0.228  0.992  1.0
  O  O12  1  0.992  0.374  0.228  1.0
  O  O13  1  0.772  0.008  0.626  1.0
  O  O14  1  0.626  0.772  0.008  1.0
  O  O15  1  0.008  0.626  0.772  1.0
  O  O16  1  0.272  0.126  0.508  1.0
  O  O17  1  0.508  0.272  0.126  1.0
  O  O18  1  0.126  0.508  0.272  1.0
  O  O19  1  0.728  0.874  0.492  1.0
  O  O20  1  0.064  0.298  0.914  1.0
  O  O21  1  0.298  0.914  0.064  1.0
  O  O22  1  0.914  0.064  0.298  1.0
  O  O23  1  0.936  0.702  0.086  1.0
  O  O24  1  0.702  0.086  0.936  1.0
  O  O25  1  0.086  0.936  0.702  1.0
  O  O26  1  0.202  0.436  0.586  1.0
  O  O27  1  0.436  0.586  0.202  1.0
  O  O28  1  0.586  0.202  0.436  1.0
  O  O29  1  0.798  0.564  0.414  1.0
  O  O30  1  0.564  0.414  0.798  1.0
  O  O31  1  0.414  0.798  0.564  1.0
  O  O32  1  0.874  0.492  0.728  1.0
  O  O33  1  0.492  0.728  0.874  1.0
[/CIF]
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The structure described by Sc2(SO4)3 crystallizes in the trigonal R-3c space group. Sc(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-27°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. is represented by the CIF file [CIF]
data_Sc2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.097
_cell_length_b   9.097
_cell_length_c   9.097
_cell_angle_alpha   57.700
_cell_angle_beta   57.700
_cell_angle_gamma   57.700
_symmetry_Int_Tables_number   1
_cell_volume   504.115
_cell_formula_units_Z   2
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  0.144  0.144  0.144  1.0
  Sc  Sc1  1  0.856  0.856  0.856  1.0
  Sc  Sc2  1  0.356  0.356  0.356  1.0
  Sc  Sc3  1  0.644  0.644  0.644  1.0
  S  S4  1  0.037  0.463  0.750  1.0
  S  S5  1  0.463  0.750  0.037  1.0
  S  S6  1  0.750  0.037  0.463  1.0
  S  S7  1  0.963  0.537  0.250  1.0
  S  S8  1  0.250  0.963  0.537  1.0
  S  S9  1  0.537  0.250  0.963  1.0
  O  O10  1  0.228  0.992  0.374  1.0
  O  O11  1  0.374  0.228  0.992  1.0
  O  O12  1  0.992  0.374  0.228  1.0
  O  O13  1  0.772  0.008  0.626  1.0
  O  O14  1  0.626  0.772  0.008  1.0
  O  O15  1  0.008  0.626  0.772  1.0
  O  O16  1  0.272  0.126  0.508  1.0
  O  O17  1  0.508  0.272  0.126  1.0
  O  O18  1  0.126  0.508  0.272  1.0
  O  O19  1  0.728  0.874  0.492  1.0
  O  O20  1  0.064  0.298  0.914  1.0
  O  O21  1  0.298  0.914  0.064  1.0
  O  O22  1  0.914  0.064  0.298  1.0
  O  O23  1  0.936  0.702  0.086  1.0
  O  O24  1  0.702  0.086  0.936  1.0
  O  O25  1  0.086  0.936  0.702  1.0
  O  O26  1  0.202  0.436  0.586  1.0
  O  O27  1  0.436  0.586  0.202  1.0
  O  O28  1  0.586  0.202  0.436  1.0
  O  O29  1  0.798  0.564  0.414  1.0
  O  O30  1  0.564  0.414  0.798  1.0
  O  O31  1  0.414  0.798  0.564  1.0
  O  O32  1  0.874  0.492  0.728  1.0
  O  O33  1  0.492  0.728  0.874  1.0
[/CIF]
.