The material described by K5Sb4 is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. There are five inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(4), two equivalent Sb(2), and two equivalent Sb(3) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one Sb(2), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to one Sb(2), one Sb(3), two equivalent Sb(1), and two equivalent Sb(4) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one Sb(3), two equivalent Sb(2), and two equivalent Sb(4) atoms. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(4), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one K(1), one K(5), two equivalent K(2), two equivalent K(3), one Sb(3), and one Sb(4) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one K(2), one K(3), two equivalent K(1), two equivalent K(4), two equivalent K(5), and one Sb(4) atom. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one K(3), one K(4), two equivalent K(1), two equivalent K(2), two equivalent K(5), and one Sb(1) atom. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to one K(1), one K(5), two equivalent K(3), two equivalent K(4), one Sb(1), and one Sb(2) atom. is represented by the CIF card [CIF]
data_K5Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.510
_cell_length_b   10.573
_cell_length_c   6.823
_cell_angle_alpha   92.471
_cell_angle_beta   96.034
_cell_angle_gamma   51.962
_symmetry_Int_Tables_number   1
_cell_volume   367.711
_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  0.724  0.023  0.294  1.0
  K  K1  1  0.065  0.643  0.977  1.0
  K  K2  1  0.502  0.497  0.499  1.0
  K  K3  1  0.941  0.348  0.021  1.0
  K  K4  1  0.281  0.970  0.702  1.0
  Sb  Sb5  1  0.848  0.667  0.475  1.0
  Sb  Sb6  1  0.567  0.212  0.821  1.0
  Sb  Sb7  1  0.438  0.781  0.176  1.0
  Sb  Sb8  1  0.156  0.327  0.522  1.0
[/CIF]
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The material described by K5Sb4 is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. There are five inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(4), two equivalent Sb(2), and two equivalent Sb(3) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one Sb(2), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to one Sb(2), one Sb(3), two equivalent Sb(1), and two equivalent Sb(4) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one Sb(3), two equivalent Sb(2), and two equivalent Sb(4) atoms. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(4), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one K(1), one K(5), two equivalent K(2), two equivalent K(3), one Sb(3), and one Sb(4) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one K(2), one K(3), two equivalent K(1), two equivalent K(4), two equivalent K(5), and one Sb(4) atom. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one K(3), one K(4), two equivalent K(1), two equivalent K(2), two equivalent K(5), and one Sb(1) atom. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to one K(1), one K(5), two equivalent K(3), two equivalent K(4), one Sb(1), and one Sb(2) atom. is represented by the CIF card [CIF]
data_K5Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.510
_cell_length_b   10.573
_cell_length_c   6.823
_cell_angle_alpha   92.471
_cell_angle_beta   96.034
_cell_angle_gamma   51.962
_symmetry_Int_Tables_number   1
_cell_volume   367.711
_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  0.724  0.023  0.294  1.0
  K  K1  1  0.065  0.643  0.977  1.0
  K  K2  1  0.502  0.497  0.499  1.0
  K  K3  1  0.941  0.348  0.021  1.0
  K  K4  1  0.281  0.970  0.702  1.0
  Sb  Sb5  1  0.848  0.667  0.475  1.0
  Sb  Sb6  1  0.567  0.212  0.821  1.0
  Sb  Sb7  1  0.438  0.781  0.176  1.0
  Sb  Sb8  1  0.156  0.327  0.522  1.0
[/CIF]
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