The crystal structure described by KSc(WO4)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Sc(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted ScO6 pentagonal pyramids that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-59°. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Sc(1)O6 pentagonal pyramids, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1) and two equivalent W(1) atoms to form a mixture of distorted corner and edge-sharing OK2W2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Sc(1), and one W(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Sc(1), and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Sc(1), and one W(1) atom. is represented by the CIF file [CIF]
data_KSc(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.522
_cell_length_b   7.522
_cell_length_c   7.367
_cell_angle_alpha   61.278
_cell_angle_beta   61.278
_cell_angle_gamma   85.774
_symmetry_Int_Tables_number   1
_cell_volume   313.847
_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
  K  K0  1  0.208  0.792  0.750  1.0
  K  K1  1  0.792  0.208  0.250  1.0
  Sc  Sc2  1  0.779  0.221  0.750  1.0
  Sc  Sc3  1  0.221  0.779  0.250  1.0
  W  W4  1  0.703  0.693  0.798  1.0
  W  W5  1  0.297  0.307  0.202  1.0
  W  W6  1  0.307  0.297  0.702  1.0
  W  W7  1  0.693  0.703  0.298  1.0
  O  O8  1  0.620  0.756  0.562  1.0
  O  O9  1  0.380  0.244  0.438  1.0
  O  O10  1  0.244  0.380  0.938  1.0
  O  O11  1  0.756  0.620  0.062  1.0
  O  O12  1  0.331  0.039  0.896  1.0
  O  O13  1  0.669  0.961  0.104  1.0
  O  O14  1  0.961  0.669  0.604  1.0
  O  O15  1  0.039  0.331  0.396  1.0
  O  O16  1  0.608  0.376  0.949  1.0
  O  O17  1  0.392  0.624  0.051  1.0
  O  O18  1  0.624  0.392  0.551  1.0
  O  O19  1  0.376  0.608  0.449  1.0
  O  O20  1  0.747  0.967  0.708  1.0
  O  O21  1  0.253  0.033  0.292  1.0
  O  O22  1  0.033  0.253  0.792  1.0
  O  O23  1  0.967  0.747  0.208  1.0
[/CIF]
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The crystal structure described by KSc(WO4)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Sc(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted ScO6 pentagonal pyramids that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-59°. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Sc(1)O6 pentagonal pyramids, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1) and two equivalent W(1) atoms to form a mixture of distorted corner and edge-sharing OK2W2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Sc(1), and one W(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Sc(1), and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Sc(1), and one W(1) atom. is represented by the CIF file [CIF]
data_KSc(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.522
_cell_length_b   7.522
_cell_length_c   7.367
_cell_angle_alpha   61.278
_cell_angle_beta   61.278
_cell_angle_gamma   85.774
_symmetry_Int_Tables_number   1
_cell_volume   313.847
_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
  K  K0  1  0.208  0.792  0.750  1.0
  K  K1  1  0.792  0.208  0.250  1.0
  Sc  Sc2  1  0.779  0.221  0.750  1.0
  Sc  Sc3  1  0.221  0.779  0.250  1.0
  W  W4  1  0.703  0.693  0.798  1.0
  W  W5  1  0.297  0.307  0.202  1.0
  W  W6  1  0.307  0.297  0.702  1.0
  W  W7  1  0.693  0.703  0.298  1.0
  O  O8  1  0.620  0.756  0.562  1.0
  O  O9  1  0.380  0.244  0.438  1.0
  O  O10  1  0.244  0.380  0.938  1.0
  O  O11  1  0.756  0.620  0.062  1.0
  O  O12  1  0.331  0.039  0.896  1.0
  O  O13  1  0.669  0.961  0.104  1.0
  O  O14  1  0.961  0.669  0.604  1.0
  O  O15  1  0.039  0.331  0.396  1.0
  O  O16  1  0.608  0.376  0.949  1.0
  O  O17  1  0.392  0.624  0.051  1.0
  O  O18  1  0.624  0.392  0.551  1.0
  O  O19  1  0.376  0.608  0.449  1.0
  O  O20  1  0.747  0.967  0.708  1.0
  O  O21  1  0.253  0.033  0.292  1.0
  O  O22  1  0.033  0.253  0.792  1.0
  O  O23  1  0.967  0.747  0.208  1.0
[/CIF]
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