The material described by K5CuSb2 crystallizes in the trigonal R-3m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 14-coordinate geometry to two equivalent K(2), six equivalent K(3), and six equivalent Sb(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one K(1), three equivalent Cu(1), and three equivalent Sb(1) atoms. In the third K site, K(3) is bonded to three equivalent K(1) and four equivalent Sb(1) atoms to form a mixture of distorted corner, face, and edge-sharing KK3Sb4 tetrahedra. Cu(1) is bonded in a body-centered cubic geometry to six equivalent K(2) and two equivalent Sb(1) atoms. Sb(1) is bonded in a 11-coordinate geometry to three equivalent K(1), three equivalent K(2), four equivalent K(3), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K5CuSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.973
_cell_length_b   9.973
_cell_length_c   9.973
_cell_angle_alpha   34.707
_cell_angle_beta   34.707
_cell_angle_gamma   34.707
_symmetry_Int_Tables_number   1
_cell_volume   287.015
_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  0.500  0.500  0.500  1.0
  K  K1  1  0.365  0.365  0.365  1.0
  K  K2  1  0.635  0.635  0.635  1.0
  K  K3  1  0.217  0.217  0.217  1.0
  K  K4  1  0.783  0.783  0.783  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Sb  Sb6  1  0.088  0.088  0.088  1.0
  Sb  Sb7  1  0.912  0.912  0.912  1.0
[/CIF]
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The material described by K5CuSb2 crystallizes in the trigonal R-3m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 14-coordinate geometry to two equivalent K(2), six equivalent K(3), and six equivalent Sb(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one K(1), three equivalent Cu(1), and three equivalent Sb(1) atoms. In the third K site, K(3) is bonded to three equivalent K(1) and four equivalent Sb(1) atoms to form a mixture of distorted corner, face, and edge-sharing KK3Sb4 tetrahedra. Cu(1) is bonded in a body-centered cubic geometry to six equivalent K(2) and two equivalent Sb(1) atoms. Sb(1) is bonded in a 11-coordinate geometry to three equivalent K(1), three equivalent K(2), four equivalent K(3), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K5CuSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.973
_cell_length_b   9.973
_cell_length_c   9.973
_cell_angle_alpha   34.707
_cell_angle_beta   34.707
_cell_angle_gamma   34.707
_symmetry_Int_Tables_number   1
_cell_volume   287.015
_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  0.500  0.500  0.500  1.0
  K  K1  1  0.365  0.365  0.365  1.0
  K  K2  1  0.635  0.635  0.635  1.0
  K  K3  1  0.217  0.217  0.217  1.0
  K  K4  1  0.783  0.783  0.783  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Sb  Sb6  1  0.088  0.088  0.088  1.0
  Sb  Sb7  1  0.912  0.912  0.912  1.0
[/CIF]
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