data_KScCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.95
_cell_angle_alpha   111.62
_cell_angle_beta   111.62
_cell_angle_gamma   54.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScCu2
_chemical_formula_sum   'K1 Sc1 Cu2'
_cell_volume   111.85
_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  K2  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.72  0.0  0.17  1.0
  Cu  Cu0  1  0.09  0.0  0.6  1.0
  Cu  Cu1  1  0.35  0.0  0.73  1.0

data_KScCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.67
_cell_length_c   6.8
_cell_angle_alpha   71.96
_cell_angle_beta   71.79
_cell_angle_gamma   62.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScCu2
_chemical_formula_sum   'K1 Sc1 Cu2'
_cell_volume   111.85
_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  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.55  0.17  1.0
  Cu  Cu2  1  0.0  0.49  0.6  1.0
  Cu  Cu3  1  0.0  0.62  0.73  1.0

K Sc Cu Cu
KScCu2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 1-coordinate geometry to one Sc(1), one Cu(1), and three equivalent Cu(2) atoms. The K(1)-Sc(1) bond length is 2.04 Å. The K(1)-Cu(1) bond length is 2.96 Å. There are a spread of K(1)-Cu(2) bond distances ranging from 2.90-3.85 Å. Sc(1) is bonded in a 1-coordinate geometry to one K(1), one Cu(1), and one Cu(2) atom. The Sc(1)-Cu(1) bond length is 2.87 Å. The Sc(1)-Cu(2) bond length is 2.87 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one K(1), one Sc(1), and one Cu(2) atom. The Cu(1)-Cu(2) bond length is 1.23 Å. In the second Cu site, Cu(2) is bonded to three equivalent K(1), one Sc(1), and one Cu(1) atom to form distorted corner-sharing CuK3ScCu trigonal bipyramids.