The compound described by CsSc(SeO3)2 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 4-coordinate geometry to four equivalent O(4) atoms. Sc(1) is bonded in an octahedral geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Sc(1), and one Se(2) atom. In the second O site, O(1) is bonded in a linear geometry to one Sc(1) and one Se(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one Se(1) atom. In the fourth O site, O(3) is bonded in a bent 120 degrees geometry to one Sc(1) and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSc(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.713
_cell_length_b   7.252
_cell_length_c   17.775
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   736.410
_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  0.750  0.129  0.103  1.0
  Cs  Cs1  1  0.750  0.371  0.603  1.0
  Cs  Cs2  1  0.250  0.871  0.897  1.0
  Cs  Cs3  1  0.250  0.629  0.397  1.0
  Sc  Sc4  1  0.750  0.353  0.870  1.0
  Sc  Sc5  1  0.750  0.147  0.370  1.0
  Sc  Sc6  1  0.250  0.647  0.130  1.0
  Sc  Sc7  1  0.250  0.853  0.630  1.0
  Se  Se8  1  0.250  0.421  0.748  1.0
  Se  Se9  1  0.250  0.079  0.248  1.0
  Se  Se10  1  0.750  0.579  0.252  1.0
  Se  Se11  1  0.750  0.921  0.752  1.0
  Se  Se12  1  0.250  0.394  0.967  1.0
  Se  Se13  1  0.250  0.106  0.467  1.0
  Se  Se14  1  0.750  0.606  0.033  1.0
  Se  Se15  1  0.750  0.894  0.533  1.0
  O  O16  1  0.250  0.604  0.686  1.0
  O  O17  1  0.250  0.896  0.186  1.0
  O  O18  1  0.750  0.396  0.314  1.0
  O  O19  1  0.750  0.104  0.814  1.0
  O  O20  1  0.485  0.476  0.804  1.0
  O  O21  1  0.015  0.024  0.304  1.0
  O  O22  1  0.985  0.524  0.196  1.0
  O  O23  1  0.515  0.976  0.696  1.0
  O  O24  1  0.515  0.524  0.196  1.0
  O  O25  1  0.985  0.976  0.696  1.0
  O  O26  1  0.015  0.476  0.804  1.0
  O  O27  1  0.485  0.024  0.304  1.0
  O  O28  1  0.250  0.392  0.065  1.0
  O  O29  1  0.250  0.108  0.565  1.0
  O  O30  1  0.750  0.608  0.935  1.0
  O  O31  1  0.750  0.892  0.435  1.0
  O  O32  1  0.486  0.251  0.948  1.0
  O  O33  1  0.014  0.249  0.448  1.0
  O  O34  1  0.986  0.749  0.052  1.0
  O  O35  1  0.514  0.751  0.552  1.0
  O  O36  1  0.514  0.749  0.052  1.0
  O  O37  1  0.986  0.751  0.552  1.0
  O  O38  1  0.014  0.251  0.948  1.0
  O  O39  1  0.486  0.249  0.448  1.0
[/CIF]
.
The compound described by CsSc(SeO3)2 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 4-coordinate geometry to four equivalent O(4) atoms. Sc(1) is bonded in an octahedral geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Sc(1), and one Se(2) atom. In the second O site, O(1) is bonded in a linear geometry to one Sc(1) and one Se(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one Se(1) atom. In the fourth O site, O(3) is bonded in a bent 120 degrees geometry to one Sc(1) and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSc(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.713
_cell_length_b   7.252
_cell_length_c   17.775
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   736.410
_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  0.750  0.129  0.103  1.0
  Cs  Cs1  1  0.750  0.371  0.603  1.0
  Cs  Cs2  1  0.250  0.871  0.897  1.0
  Cs  Cs3  1  0.250  0.629  0.397  1.0
  Sc  Sc4  1  0.750  0.353  0.870  1.0
  Sc  Sc5  1  0.750  0.147  0.370  1.0
  Sc  Sc6  1  0.250  0.647  0.130  1.0
  Sc  Sc7  1  0.250  0.853  0.630  1.0
  Se  Se8  1  0.250  0.421  0.748  1.0
  Se  Se9  1  0.250  0.079  0.248  1.0
  Se  Se10  1  0.750  0.579  0.252  1.0
  Se  Se11  1  0.750  0.921  0.752  1.0
  Se  Se12  1  0.250  0.394  0.967  1.0
  Se  Se13  1  0.250  0.106  0.467  1.0
  Se  Se14  1  0.750  0.606  0.033  1.0
  Se  Se15  1  0.750  0.894  0.533  1.0
  O  O16  1  0.250  0.604  0.686  1.0
  O  O17  1  0.250  0.896  0.186  1.0
  O  O18  1  0.750  0.396  0.314  1.0
  O  O19  1  0.750  0.104  0.814  1.0
  O  O20  1  0.485  0.476  0.804  1.0
  O  O21  1  0.015  0.024  0.304  1.0
  O  O22  1  0.985  0.524  0.196  1.0
  O  O23  1  0.515  0.976  0.696  1.0
  O  O24  1  0.515  0.524  0.196  1.0
  O  O25  1  0.985  0.976  0.696  1.0
  O  O26  1  0.015  0.476  0.804  1.0
  O  O27  1  0.485  0.024  0.304  1.0
  O  O28  1  0.250  0.392  0.065  1.0
  O  O29  1  0.250  0.108  0.565  1.0
  O  O30  1  0.750  0.608  0.935  1.0
  O  O31  1  0.750  0.892  0.435  1.0
  O  O32  1  0.486  0.251  0.948  1.0
  O  O33  1  0.014  0.249  0.448  1.0
  O  O34  1  0.986  0.749  0.052  1.0
  O  O35  1  0.514  0.751  0.552  1.0
  O  O36  1  0.514  0.749  0.052  1.0
  O  O37  1  0.986  0.751  0.552  1.0
  O  O38  1  0.014  0.251  0.948  1.0
  O  O39  1  0.486  0.249  0.448  1.0
[/CIF]
.