The material described by KScO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. K(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Sc(1) is bonded to six equivalent O(1) atoms to form edge-sharing ScO6 octahedra. O(1) is bonded to three equivalent K(1) and three equivalent Sc(1) atoms to form a mixture of distorted corner and edge-sharing OK3Sc3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_KScO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.385
_cell_length_b   6.385
_cell_length_c   6.385
_cell_angle_alpha   29.223
_cell_angle_beta   29.223
_cell_angle_gamma   29.223
_symmetry_Int_Tables_number   1
_cell_volume   54.886
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.774  0.774  0.774  1.0
  O  O3  1  0.226  0.226  0.226  1.0
[/CIF]
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The material described by KScO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. K(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Sc(1) is bonded to six equivalent O(1) atoms to form edge-sharing ScO6 octahedra. O(1) is bonded to three equivalent K(1) and three equivalent Sc(1) atoms to form a mixture of distorted corner and edge-sharing OK3Sc3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_KScO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.385
_cell_length_b   6.385
_cell_length_c   6.385
_cell_angle_alpha   29.223
_cell_angle_beta   29.223
_cell_angle_gamma   29.223
_symmetry_Int_Tables_number   1
_cell_volume   54.886
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.774  0.774  0.774  1.0
  O  O3  1  0.226  0.226  0.226  1.0
[/CIF]
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