The structure described by K(CrS2)2 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 7-coordinate geometry to two equivalent S(3), two equivalent S(4), and three equivalent S(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form CrS6 octahedra that share edges with four equivalent Cr(1)S6 octahedra and edges with two equivalent Cr(2)S5 square pyramids. In the second Cr site, Cr(2) is bonded to one S(4), two equivalent S(1), and two equivalent S(3) atoms to form CrS5 square pyramids that share edges with two equivalent Cr(1)S6 octahedra and edges with two equivalent Cr(2)S5 square pyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent K(1) and two equivalent Cr(2) atoms to form distorted SK3Cr2 square pyramids that share corners with two equivalent S(4)K2Cr3 square pyramids, corners with six equivalent S(3)K2Cr3 trigonal bipyramids, edges with three equivalent S(4)K2Cr3 square pyramids, edges with four equivalent S(1)K3Cr2 square pyramids, and edges with two equivalent S(3)K2Cr3 trigonal bipyramids. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms. In the third S site, S(3) is bonded to two equivalent K(1), one Cr(1), and two equivalent Cr(2) atoms to form distorted SK2Cr3 trigonal bipyramids that share corners with two equivalent S(4)K2Cr3 square pyramids, corners with six equivalent S(1)K3Cr2 square pyramids, edges with two equivalent S(1)K3Cr2 square pyramids, edges with three equivalent S(4)K2Cr3 square pyramids, and edges with two equivalent S(3)K2Cr3 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent K(1), one Cr(2), and two equivalent Cr(1) atoms to form distorted SK2Cr3 square pyramids that share corners with two equivalent S(1)K3Cr2 square pyramids, corners with two equivalent S(3)K2Cr3 trigonal bipyramids, edges with two equivalent S(4)K2Cr3 square pyramids, edges with three equivalent S(1)K3Cr2 square pyramids, and edges with three equivalent S(3)K2Cr3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.240
_cell_length_b   3.447
_cell_length_c   13.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   635.235
_cell_formula_units_Z   4
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  0.111  0.750  0.381  1.0
  K  K1  1  0.889  0.250  0.619  1.0
  K  K2  1  0.389  0.250  0.881  1.0
  K  K3  1  0.611  0.750  0.119  1.0
  Cr  Cr4  1  0.098  0.250  0.050  1.0
  Cr  Cr5  1  0.902  0.750  0.950  1.0
  Cr  Cr6  1  0.402  0.750  0.550  1.0
  Cr  Cr7  1  0.598  0.250  0.450  1.0
  Cr  Cr8  1  0.207  0.250  0.634  1.0
  Cr  Cr9  1  0.793  0.750  0.366  1.0
  Cr  Cr10  1  0.293  0.750  0.134  1.0
  Cr  Cr11  1  0.707  0.250  0.866  1.0
  S  S12  1  0.092  0.750  0.619  1.0
  S  S13  1  0.908  0.250  0.381  1.0
  S  S14  1  0.408  0.250  0.119  1.0
  S  S15  1  0.592  0.750  0.881  1.0
  S  S16  1  0.012  0.250  0.901  1.0
  S  S17  1  0.988  0.750  0.099  1.0
  S  S18  1  0.488  0.750  0.401  1.0
  S  S19  1  0.512  0.250  0.599  1.0
  S  S20  1  0.190  0.250  0.202  1.0
  S  S21  1  0.810  0.750  0.798  1.0
  S  S22  1  0.310  0.750  0.702  1.0
  S  S23  1  0.690  0.250  0.298  1.0
  S  S24  1  0.213  0.750  0.993  1.0
  S  S25  1  0.787  0.250  0.007  1.0
  S  S26  1  0.287  0.250  0.493  1.0
  S  S27  1  0.713  0.750  0.507  1.0
[/CIF]
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The structure described by K(CrS2)2 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 7-coordinate geometry to two equivalent S(3), two equivalent S(4), and three equivalent S(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form CrS6 octahedra that share edges with four equivalent Cr(1)S6 octahedra and edges with two equivalent Cr(2)S5 square pyramids. In the second Cr site, Cr(2) is bonded to one S(4), two equivalent S(1), and two equivalent S(3) atoms to form CrS5 square pyramids that share edges with two equivalent Cr(1)S6 octahedra and edges with two equivalent Cr(2)S5 square pyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent K(1) and two equivalent Cr(2) atoms to form distorted SK3Cr2 square pyramids that share corners with two equivalent S(4)K2Cr3 square pyramids, corners with six equivalent S(3)K2Cr3 trigonal bipyramids, edges with three equivalent S(4)K2Cr3 square pyramids, edges with four equivalent S(1)K3Cr2 square pyramids, and edges with two equivalent S(3)K2Cr3 trigonal bipyramids. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms. In the third S site, S(3) is bonded to two equivalent K(1), one Cr(1), and two equivalent Cr(2) atoms to form distorted SK2Cr3 trigonal bipyramids that share corners with two equivalent S(4)K2Cr3 square pyramids, corners with six equivalent S(1)K3Cr2 square pyramids, edges with two equivalent S(1)K3Cr2 square pyramids, edges with three equivalent S(4)K2Cr3 square pyramids, and edges with two equivalent S(3)K2Cr3 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent K(1), one Cr(2), and two equivalent Cr(1) atoms to form distorted SK2Cr3 square pyramids that share corners with two equivalent S(1)K3Cr2 square pyramids, corners with two equivalent S(3)K2Cr3 trigonal bipyramids, edges with two equivalent S(4)K2Cr3 square pyramids, edges with three equivalent S(1)K3Cr2 square pyramids, and edges with three equivalent S(3)K2Cr3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.240
_cell_length_b   3.447
_cell_length_c   13.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   635.235
_cell_formula_units_Z   4
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  0.111  0.750  0.381  1.0
  K  K1  1  0.889  0.250  0.619  1.0
  K  K2  1  0.389  0.250  0.881  1.0
  K  K3  1  0.611  0.750  0.119  1.0
  Cr  Cr4  1  0.098  0.250  0.050  1.0
  Cr  Cr5  1  0.902  0.750  0.950  1.0
  Cr  Cr6  1  0.402  0.750  0.550  1.0
  Cr  Cr7  1  0.598  0.250  0.450  1.0
  Cr  Cr8  1  0.207  0.250  0.634  1.0
  Cr  Cr9  1  0.793  0.750  0.366  1.0
  Cr  Cr10  1  0.293  0.750  0.134  1.0
  Cr  Cr11  1  0.707  0.250  0.866  1.0
  S  S12  1  0.092  0.750  0.619  1.0
  S  S13  1  0.908  0.250  0.381  1.0
  S  S14  1  0.408  0.250  0.119  1.0
  S  S15  1  0.592  0.750  0.881  1.0
  S  S16  1  0.012  0.250  0.901  1.0
  S  S17  1  0.988  0.750  0.099  1.0
  S  S18  1  0.488  0.750  0.401  1.0
  S  S19  1  0.512  0.250  0.599  1.0
  S  S20  1  0.190  0.250  0.202  1.0
  S  S21  1  0.810  0.750  0.798  1.0
  S  S22  1  0.310  0.750  0.702  1.0
  S  S23  1  0.690  0.250  0.298  1.0
  S  S24  1  0.213  0.750  0.993  1.0
  S  S25  1  0.787  0.250  0.007  1.0
  S  S26  1  0.287  0.250  0.493  1.0
  S  S27  1  0.713  0.750  0.507  1.0
[/CIF]
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