The material described by KSnPS4 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one S(2), two equivalent S(3), two equivalent S(4), and three equivalent S(1) atoms. Sn(1) is bonded in a 5-coordinate geometry to one S(1), one S(3), one S(4), and two equivalent S(2) atoms. P(1) is bonded in a tetrahedral geometry to one S(1), 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 to three equivalent K(1), one Sn(1), and one P(1) atom to form a mixture of distorted edge and corner-sharing SK3SnP trigonal bipyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent Sn(1), and one P(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Sn(1), and one P(1) atom. In the fourth S site, S(4) is bonded in a distorted single-bond geometry to two equivalent K(1), one Sn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_KSnPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.296
_cell_length_b   6.916
_cell_length_c   11.126
_cell_angle_alpha   53.681
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   762.323
_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  0.399  0.368  0.870  1.0
  K  K1  1  0.899  0.632  0.630  1.0
  K  K2  1  0.601  0.632  0.130  1.0
  K  K3  1  0.101  0.368  0.370  1.0
  Sn  Sn4  1  0.130  0.931  0.885  1.0
  Sn  Sn5  1  0.630  0.069  0.615  1.0
  Sn  Sn6  1  0.870  0.069  0.115  1.0
  Sn  Sn7  1  0.370  0.931  0.385  1.0
  P  P8  1  0.340  0.095  0.630  1.0
  P  P9  1  0.840  0.905  0.870  1.0
  P  P10  1  0.660  0.905  0.370  1.0
  P  P11  1  0.160  0.095  0.130  1.0
  S  S12  1  0.454  0.925  0.800  1.0
  S  S13  1  0.954  0.075  0.700  1.0
  S  S14  1  0.546  0.075  0.200  1.0
  S  S15  1  0.046  0.925  0.300  1.0
  S  S16  1  0.078  0.280  0.928  1.0
  S  S17  1  0.578  0.720  0.572  1.0
  S  S18  1  0.922  0.720  0.072  1.0
  S  S19  1  0.422  0.280  0.428  1.0
  S  S20  1  0.250  0.330  0.644  1.0
  S  S21  1  0.750  0.670  0.856  1.0
  S  S22  1  0.750  0.670  0.356  1.0
  S  S23  1  0.250  0.330  0.144  1.0
  S  S24  1  0.238  0.852  0.644  1.0
  S  S25  1  0.738  0.148  0.856  1.0
  S  S26  1  0.762  0.148  0.356  1.0
  S  S27  1  0.262  0.852  0.144  1.0
[/CIF]
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The material described by KSnPS4 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one S(2), two equivalent S(3), two equivalent S(4), and three equivalent S(1) atoms. Sn(1) is bonded in a 5-coordinate geometry to one S(1), one S(3), one S(4), and two equivalent S(2) atoms. P(1) is bonded in a tetrahedral geometry to one S(1), 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 to three equivalent K(1), one Sn(1), and one P(1) atom to form a mixture of distorted edge and corner-sharing SK3SnP trigonal bipyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent Sn(1), and one P(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Sn(1), and one P(1) atom. In the fourth S site, S(4) is bonded in a distorted single-bond geometry to two equivalent K(1), one Sn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_KSnPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.296
_cell_length_b   6.916
_cell_length_c   11.126
_cell_angle_alpha   53.681
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   762.323
_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  0.399  0.368  0.870  1.0
  K  K1  1  0.899  0.632  0.630  1.0
  K  K2  1  0.601  0.632  0.130  1.0
  K  K3  1  0.101  0.368  0.370  1.0
  Sn  Sn4  1  0.130  0.931  0.885  1.0
  Sn  Sn5  1  0.630  0.069  0.615  1.0
  Sn  Sn6  1  0.870  0.069  0.115  1.0
  Sn  Sn7  1  0.370  0.931  0.385  1.0
  P  P8  1  0.340  0.095  0.630  1.0
  P  P9  1  0.840  0.905  0.870  1.0
  P  P10  1  0.660  0.905  0.370  1.0
  P  P11  1  0.160  0.095  0.130  1.0
  S  S12  1  0.454  0.925  0.800  1.0
  S  S13  1  0.954  0.075  0.700  1.0
  S  S14  1  0.546  0.075  0.200  1.0
  S  S15  1  0.046  0.925  0.300  1.0
  S  S16  1  0.078  0.280  0.928  1.0
  S  S17  1  0.578  0.720  0.572  1.0
  S  S18  1  0.922  0.720  0.072  1.0
  S  S19  1  0.422  0.280  0.428  1.0
  S  S20  1  0.250  0.330  0.644  1.0
  S  S21  1  0.750  0.670  0.856  1.0
  S  S22  1  0.750  0.670  0.356  1.0
  S  S23  1  0.250  0.330  0.144  1.0
  S  S24  1  0.238  0.852  0.644  1.0
  S  S25  1  0.738  0.148  0.856  1.0
  S  S26  1  0.762  0.148  0.356  1.0
  S  S27  1  0.262  0.852  0.144  1.0
[/CIF]
.