The crystal structure described by Cs3ScO3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Sc(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form edge-sharing ScO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cs(3), and two equivalent Sc(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Sc(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Sc(1) atom. is represented by the CIF file [CIF]
data_Cs3ScO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.227
_cell_length_b   7.293
_cell_length_c   7.824
_cell_angle_alpha   63.634
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   727.323
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.960  0.491  0.273  1.0
  Cs  Cs1  1  0.684  0.417  0.478  1.0
  Cs  Cs2  1  0.203  0.647  0.057  1.0
  Cs  Cs3  1  0.540  0.991  0.273  1.0
  Cs  Cs4  1  0.816  0.917  0.478  1.0
  Cs  Cs5  1  0.297  0.147  0.057  1.0
  Cs  Cs6  1  0.797  0.353  0.943  1.0
  Cs  Cs7  1  0.316  0.583  0.522  1.0
  Cs  Cs8  1  0.040  0.509  0.727  1.0
  Cs  Cs9  1  0.703  0.853  0.943  1.0
  Cs  Cs10  1  0.184  0.083  0.522  1.0
  Cs  Cs11  1  0.460  0.009  0.727  1.0
  Sc  Sc12  1  0.441  0.512  0.151  1.0
  Sc  Sc13  1  0.059  0.012  0.151  1.0
  Sc  Sc14  1  0.559  0.488  0.849  1.0
  Sc  Sc15  1  0.941  0.988  0.849  1.0
  O  O16  1  0.581  0.471  0.115  1.0
  O  O17  1  0.872  0.219  0.653  1.0
  O  O18  1  0.919  0.971  0.115  1.0
  O  O19  1  0.628  0.719  0.653  1.0
  O  O20  1  0.596  0.233  0.841  1.0
  O  O21  1  0.904  0.733  0.841  1.0
  O  O22  1  0.404  0.767  0.159  1.0
  O  O23  1  0.096  0.267  0.159  1.0
  O  O24  1  0.128  0.781  0.347  1.0
  O  O25  1  0.419  0.529  0.885  1.0
  O  O26  1  0.372  0.281  0.347  1.0
  O  O27  1  0.081  0.029  0.885  1.0
[/CIF]
.
The crystal structure described by Cs3ScO3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Sc(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form edge-sharing ScO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cs(3), and two equivalent Sc(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Sc(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Sc(1) atom. is represented by the CIF file [CIF]
data_Cs3ScO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.227
_cell_length_b   7.293
_cell_length_c   7.824
_cell_angle_alpha   63.634
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   727.323
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.960  0.491  0.273  1.0
  Cs  Cs1  1  0.684  0.417  0.478  1.0
  Cs  Cs2  1  0.203  0.647  0.057  1.0
  Cs  Cs3  1  0.540  0.991  0.273  1.0
  Cs  Cs4  1  0.816  0.917  0.478  1.0
  Cs  Cs5  1  0.297  0.147  0.057  1.0
  Cs  Cs6  1  0.797  0.353  0.943  1.0
  Cs  Cs7  1  0.316  0.583  0.522  1.0
  Cs  Cs8  1  0.040  0.509  0.727  1.0
  Cs  Cs9  1  0.703  0.853  0.943  1.0
  Cs  Cs10  1  0.184  0.083  0.522  1.0
  Cs  Cs11  1  0.460  0.009  0.727  1.0
  Sc  Sc12  1  0.441  0.512  0.151  1.0
  Sc  Sc13  1  0.059  0.012  0.151  1.0
  Sc  Sc14  1  0.559  0.488  0.849  1.0
  Sc  Sc15  1  0.941  0.988  0.849  1.0
  O  O16  1  0.581  0.471  0.115  1.0
  O  O17  1  0.872  0.219  0.653  1.0
  O  O18  1  0.919  0.971  0.115  1.0
  O  O19  1  0.628  0.719  0.653  1.0
  O  O20  1  0.596  0.233  0.841  1.0
  O  O21  1  0.904  0.733  0.841  1.0
  O  O22  1  0.404  0.767  0.159  1.0
  O  O23  1  0.096  0.267  0.159  1.0
  O  O24  1  0.128  0.781  0.347  1.0
  O  O25  1  0.419  0.529  0.885  1.0
  O  O26  1  0.372  0.281  0.347  1.0
  O  O27  1  0.081  0.029  0.885  1.0
[/CIF]
.