The structure described by K2Ti(CuS2)2 crystallizes in the tetragonal P4_2/mcm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Ti(1) is bonded to four equivalent S(1) atoms to form TiS4 tetrahedra that share edges with four equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and edges with two equivalent Ti(1)S4 tetrahedra. S(1) is bonded in a 7-coordinate geometry to four equivalent K(1), one Ti(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_K2Ti(CuS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.546
_cell_length_b   5.546
_cell_length_c   12.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.508
_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  0.260  0.260  0.000  1.0
  K  K1  1  0.740  0.740  0.000  1.0
  K  K2  1  0.740  0.260  0.500  1.0
  K  K3  1  0.260  0.740  0.500  1.0
  Ti  Ti4  1  0.000  0.000  0.250  1.0
  Ti  Ti5  1  0.000  0.000  0.750  1.0
  Cu  Cu6  1  0.000  0.500  0.250  1.0
  Cu  Cu7  1  0.000  0.500  0.750  1.0
  Cu  Cu8  1  0.500  0.000  0.750  1.0
  Cu  Cu9  1  0.500  0.000  0.250  1.0
  S  S10  1  0.240  0.240  0.350  1.0
  S  S11  1  0.760  0.760  0.650  1.0
  S  S12  1  0.760  0.760  0.350  1.0
  S  S13  1  0.760  0.240  0.850  1.0
  S  S14  1  0.760  0.240  0.150  1.0
  S  S15  1  0.240  0.240  0.650  1.0
  S  S16  1  0.240  0.760  0.150  1.0
  S  S17  1  0.240  0.760  0.850  1.0
[/CIF]
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The structure described by K2Ti(CuS2)2 crystallizes in the tetragonal P4_2/mcm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Ti(1) is bonded to four equivalent S(1) atoms to form TiS4 tetrahedra that share edges with four equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and edges with two equivalent Ti(1)S4 tetrahedra. S(1) is bonded in a 7-coordinate geometry to four equivalent K(1), one Ti(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_K2Ti(CuS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.546
_cell_length_b   5.546
_cell_length_c   12.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.508
_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  0.260  0.260  0.000  1.0
  K  K1  1  0.740  0.740  0.000  1.0
  K  K2  1  0.740  0.260  0.500  1.0
  K  K3  1  0.260  0.740  0.500  1.0
  Ti  Ti4  1  0.000  0.000  0.250  1.0
  Ti  Ti5  1  0.000  0.000  0.750  1.0
  Cu  Cu6  1  0.000  0.500  0.250  1.0
  Cu  Cu7  1  0.000  0.500  0.750  1.0
  Cu  Cu8  1  0.500  0.000  0.750  1.0
  Cu  Cu9  1  0.500  0.000  0.250  1.0
  S  S10  1  0.240  0.240  0.350  1.0
  S  S11  1  0.760  0.760  0.650  1.0
  S  S12  1  0.760  0.760  0.350  1.0
  S  S13  1  0.760  0.240  0.850  1.0
  S  S14  1  0.760  0.240  0.150  1.0
  S  S15  1  0.240  0.240  0.650  1.0
  S  S16  1  0.240  0.760  0.150  1.0
  S  S17  1  0.240  0.760  0.850  1.0
[/CIF]
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