The compound described by KCuFeS2 crystallizes in the tetragonal I-4m2 space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra and edges with four equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and edges with four equivalent Fe(1)S4 tetrahedra. S(1) is bonded in a 8-coordinate geometry to four equivalent K(1), two equivalent Fe(1), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_KFeCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.873
_cell_length_b   6.873
_cell_length_c   6.873
_cell_angle_alpha   147.634
_cell_angle_beta   147.634
_cell_angle_gamma   46.426
_symmetry_Int_Tables_number   1
_cell_volume   92.729
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  S  S3  1  0.652  0.652  0.000  1.0
  S  S4  1  0.348  0.348  0.000  1.0
[/CIF]
.
The compound described by KCuFeS2 crystallizes in the tetragonal I-4m2 space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra and edges with four equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and edges with four equivalent Fe(1)S4 tetrahedra. S(1) is bonded in a 8-coordinate geometry to four equivalent K(1), two equivalent Fe(1), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_KFeCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.873
_cell_length_b   6.873
_cell_length_c   6.873
_cell_angle_alpha   147.634
_cell_angle_beta   147.634
_cell_angle_gamma   46.426
_symmetry_Int_Tables_number   1
_cell_volume   92.729
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  S  S3  1  0.652  0.652  0.000  1.0
  S  S4  1  0.348  0.348  0.000  1.0
[/CIF]
.