The compound described by KCd4Ga5S12 crystallizes in the triclinic P1 space group. K(1) is bonded in a 8-coordinate geometry to one S(10), one S(11), one S(12), one S(3), one S(4), one S(5), one S(6), and one S(9) atom. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(3), one S(4), one S(8), and one S(9) atom to form CdS4 tetrahedra that share  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the second Cd site, Cd(2) is bonded to one S(1), one S(10), one S(2), and one S(4) atom to form CdS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the third Cd site, Cd(3) is bonded to one S(11), one S(2), one S(3), and one S(5) atom to form CdS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the fourth Cd site, Cd(4) is bonded to one S(1), one S(12), one S(3), and one S(6) atom to form CdS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(11), one S(12), one S(4), and one S(7) atom to form GaS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the second Ga site, Ga(2) is bonded to one S(10), one S(12), one S(5), and one S(8) atom to form GaS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the third Ga site, Ga(3) is bonded to one S(10), one S(11), one S(6), and one S(9) atom to form GaS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the fourth Ga site, Ga(4) is bonded to one S(1), one S(5), one S(7), and one S(9) atom to form GaS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the fifth Ga site, Ga(5) is bonded to one S(2), one S(6), one S(7), and one S(8) atom to form GaS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra, and  a cornercorner with one Ga(4)S4 tetrahedra. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Cd(2), one Cd(4), and one Ga(4) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Cd(2), one Cd(3), and one Ga(5) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one K(1), one Cd(1), one Cd(3), and one Cd(4) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one K(1), one Cd(1), one Cd(2), and one Ga(1) atom. In the fifth S site, S(5) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Cd(3), one Ga(2), and one Ga(4) atom. In the sixth S site, S(6) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Cd(4), one Ga(3), and one Ga(5) atom. In the seventh S site, S(7) is bonded in a trigonal non-coplanar geometry to one Ga(1), one Ga(4), and one Ga(5) atom. In the eighth S site, S(8) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Ga(2), and one Ga(5) atom. In the ninth S site, S(9) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Cd(1), one Ga(3), and one Ga(4) atom. In the tenth S site, S(10) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Cd(2), one Ga(2), and one Ga(3) atom. In the eleventh S site, S(11) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Cd(3), one Ga(1), and one Ga(3) atom. In the twelfth S site, S(12) is bonded in a trigonal non-coplanar geometry to one K(1), one Cd(4), one Ga(1), and one Ga(2) atom. is represented by the CIF card [CIF]
data_KCd4Ga5S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.600
_cell_length_b   8.661
_cell_length_c   8.928
_cell_angle_alpha   108.623
_cell_angle_beta   106.245
_cell_angle_gamma   108.354
_symmetry_Int_Tables_number   1
_cell_volume   542.062
_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  0.998  0.002  0.005  1.0
  Cd  Cd1  1  0.488  0.338  0.937  1.0
  Cd  Cd2  1  0.627  0.709  0.403  1.0
  Cd  Cd3  1  0.407  0.642  0.717  1.0
  Cd  Cd4  1  0.715  0.402  0.636  1.0
  Ga  Ga5  1  0.188  0.556  0.027  1.0
  Ga  Ga6  1  0.022  0.184  0.553  1.0
  Ga  Ga7  1  0.563  0.023  0.191  1.0
  Ga  Ga8  1  0.937  0.471  0.334  1.0
  Ga  Ga9  1  0.321  0.930  0.470  1.0
  S  S10  1  0.874  0.630  0.542  1.0
  S  S11  1  0.543  0.886  0.630  1.0
  S  S12  1  0.659  0.586  0.875  1.0
  S  S13  1  0.351  0.433  0.147  1.0
  S  S14  1  0.144  0.369  0.440  1.0
  S  S15  1  0.433  0.135  0.366  1.0
  S  S16  1  0.071  0.674  0.227  1.0
  S  S17  1  0.212  0.067  0.658  1.0
  S  S18  1  0.700  0.218  0.089  1.0
  S  S19  1  0.781  0.940  0.303  1.0
  S  S20  1  0.303  0.785  0.953  1.0
  S  S21  1  0.946  0.301  0.780  1.0
[/CIF]
.
The compound described by KCd4Ga5S12 crystallizes in the triclinic P1 space group. K(1) is bonded in a 8-coordinate geometry to one S(10), one S(11), one S(12), one S(3), one S(4), one S(5), one S(6), and one S(9) atom. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(3), one S(4), one S(8), and one S(9) atom to form CdS4 tetrahedra that share  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the second Cd site, Cd(2) is bonded to one S(1), one S(10), one S(2), and one S(4) atom to form CdS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the third Cd site, Cd(3) is bonded to one S(11), one S(2), one S(3), and one S(5) atom to form CdS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the fourth Cd site, Cd(4) is bonded to one S(1), one S(12), one S(3), and one S(6) atom to form CdS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(11), one S(12), one S(4), and one S(7) atom to form GaS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the second Ga site, Ga(2) is bonded to one S(10), one S(12), one S(5), and one S(8) atom to form GaS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the third Ga site, Ga(3) is bonded to one S(10), one S(11), one S(6), and one S(9) atom to form GaS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the fourth Ga site, Ga(4) is bonded to one S(1), one S(5), one S(7), and one S(9) atom to form GaS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra, and  a cornercorner with one Ga(5)S4 tetrahedra. In the fifth Ga site, Ga(5) is bonded to one S(2), one S(6), one S(7), and one S(8) atom to form GaS4 tetrahedra that share  a cornercorner with one Cd(1)S4 tetrahedra,  a cornercorner with one Cd(2)S4 tetrahedra,  a cornercorner with one Cd(3)S4 tetrahedra,  a cornercorner with one Cd(4)S4 tetrahedra,  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra, and  a cornercorner with one Ga(4)S4 tetrahedra. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Cd(2), one Cd(4), and one Ga(4) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Cd(2), one Cd(3), and one Ga(5) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one K(1), one Cd(1), one Cd(3), and one Cd(4) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one K(1), one Cd(1), one Cd(2), and one Ga(1) atom. In the fifth S site, S(5) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Cd(3), one Ga(2), and one Ga(4) atom. In the sixth S site, S(6) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Cd(4), one Ga(3), and one Ga(5) atom. In the seventh S site, S(7) is bonded in a trigonal non-coplanar geometry to one Ga(1), one Ga(4), and one Ga(5) atom. In the eighth S site, S(8) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Ga(2), and one Ga(5) atom. In the ninth S site, S(9) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Cd(1), one Ga(3), and one Ga(4) atom. In the tenth S site, S(10) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Cd(2), one Ga(2), and one Ga(3) atom. In the eleventh S site, S(11) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Cd(3), one Ga(1), and one Ga(3) atom. In the twelfth S site, S(12) is bonded in a trigonal non-coplanar geometry to one K(1), one Cd(4), one Ga(1), and one Ga(2) atom. is represented by the CIF card [CIF]
data_KCd4Ga5S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.600
_cell_length_b   8.661
_cell_length_c   8.928
_cell_angle_alpha   108.623
_cell_angle_beta   106.245
_cell_angle_gamma   108.354
_symmetry_Int_Tables_number   1
_cell_volume   542.062
_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  0.998  0.002  0.005  1.0
  Cd  Cd1  1  0.488  0.338  0.937  1.0
  Cd  Cd2  1  0.627  0.709  0.403  1.0
  Cd  Cd3  1  0.407  0.642  0.717  1.0
  Cd  Cd4  1  0.715  0.402  0.636  1.0
  Ga  Ga5  1  0.188  0.556  0.027  1.0
  Ga  Ga6  1  0.022  0.184  0.553  1.0
  Ga  Ga7  1  0.563  0.023  0.191  1.0
  Ga  Ga8  1  0.937  0.471  0.334  1.0
  Ga  Ga9  1  0.321  0.930  0.470  1.0
  S  S10  1  0.874  0.630  0.542  1.0
  S  S11  1  0.543  0.886  0.630  1.0
  S  S12  1  0.659  0.586  0.875  1.0
  S  S13  1  0.351  0.433  0.147  1.0
  S  S14  1  0.144  0.369  0.440  1.0
  S  S15  1  0.433  0.135  0.366  1.0
  S  S16  1  0.071  0.674  0.227  1.0
  S  S17  1  0.212  0.067  0.658  1.0
  S  S18  1  0.700  0.218  0.089  1.0
  S  S19  1  0.781  0.940  0.303  1.0
  S  S20  1  0.303  0.785  0.953  1.0
  S  S21  1  0.946  0.301  0.780  1.0
[/CIF]
.