The crystal structure described by KCu4AsS4 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 5-coordinate geometry to one S(1), one S(2), one S(4), and two equivalent S(3) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(1), one S(3), and two equivalent S(4) atoms. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(1), one S(3), and one S(4) atom. In the fourth Cu site, Cu(4) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted corner-sharing CuS4 tetrahedra. As(1) is bonded in a 3-coordinate geometry to one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(1), one Cu(2), one Cu(3), one Cu(4), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent Cu(4), and one As(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent K(1), one Cu(2), one Cu(3), one Cu(4), and one As(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one K(1), one Cu(3), two equivalent Cu(2), and one As(1) atom. is represented by the CIF card [CIF]
data_KCu4AsS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   6.585
_cell_length_c   9.604
_cell_angle_alpha   76.799
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   395.180
_cell_formula_units_Z   2
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  0.023  0.676  0.863  1.0
  K  K1  1  0.523  0.324  0.137  1.0
  Cu  Cu2  1  0.174  0.980  0.485  1.0
  Cu  Cu3  1  0.383  0.294  0.557  1.0
  Cu  Cu4  1  0.674  0.020  0.515  1.0
  Cu  Cu5  1  0.883  0.706  0.443  1.0
  Cu  Cu6  1  0.534  0.637  0.609  1.0
  Cu  Cu7  1  0.034  0.363  0.391  1.0
  Cu  Cu8  1  0.906  0.924  0.125  1.0
  Cu  Cu9  1  0.406  0.076  0.875  1.0
  As  As10  1  0.385  0.799  0.253  1.0
  As  As11  1  0.885  0.201  0.747  1.0
  S  S12  1  0.405  0.937  0.660  1.0
  S  S13  1  0.585  0.840  0.050  1.0
  S  S14  1  0.905  0.063  0.340  1.0
  S  S15  1  0.115  0.615  0.193  1.0
  S  S16  1  0.085  0.160  0.950  1.0
  S  S17  1  0.582  0.534  0.398  1.0
  S  S18  1  0.615  0.385  0.807  1.0
  S  S19  1  0.082  0.466  0.602  1.0
[/CIF]
.
The crystal structure described by KCu4AsS4 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 5-coordinate geometry to one S(1), one S(2), one S(4), and two equivalent S(3) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(1), one S(3), and two equivalent S(4) atoms. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(1), one S(3), and one S(4) atom. In the fourth Cu site, Cu(4) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted corner-sharing CuS4 tetrahedra. As(1) is bonded in a 3-coordinate geometry to one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(1), one Cu(2), one Cu(3), one Cu(4), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent Cu(4), and one As(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent K(1), one Cu(2), one Cu(3), one Cu(4), and one As(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one K(1), one Cu(3), two equivalent Cu(2), and one As(1) atom. is represented by the CIF card [CIF]
data_KCu4AsS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   6.585
_cell_length_c   9.604
_cell_angle_alpha   76.799
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   395.180
_cell_formula_units_Z   2
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  0.023  0.676  0.863  1.0
  K  K1  1  0.523  0.324  0.137  1.0
  Cu  Cu2  1  0.174  0.980  0.485  1.0
  Cu  Cu3  1  0.383  0.294  0.557  1.0
  Cu  Cu4  1  0.674  0.020  0.515  1.0
  Cu  Cu5  1  0.883  0.706  0.443  1.0
  Cu  Cu6  1  0.534  0.637  0.609  1.0
  Cu  Cu7  1  0.034  0.363  0.391  1.0
  Cu  Cu8  1  0.906  0.924  0.125  1.0
  Cu  Cu9  1  0.406  0.076  0.875  1.0
  As  As10  1  0.385  0.799  0.253  1.0
  As  As11  1  0.885  0.201  0.747  1.0
  S  S12  1  0.405  0.937  0.660  1.0
  S  S13  1  0.585  0.840  0.050  1.0
  S  S14  1  0.905  0.063  0.340  1.0
  S  S15  1  0.115  0.615  0.193  1.0
  S  S16  1  0.085  0.160  0.950  1.0
  S  S17  1  0.582  0.534  0.398  1.0
  S  S18  1  0.615  0.385  0.807  1.0
  S  S19  1  0.082  0.466  0.602  1.0
[/CIF]
.