The material structure described by K2Mn(PS3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms. Mn(1) is bonded in a distorted octahedral geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. P(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent K(1), one Mn(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing SK3MnP trigonal bipyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mn(1), and one P(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Mn(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.332
_cell_length_b   6.194
_cell_length_c   8.849
_cell_angle_alpha   58.031
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.389
_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  0.317  0.691  0.529  1.0
  K  K1  1  0.817  0.309  0.971  1.0
  K  K2  1  0.683  0.309  0.471  1.0
  K  K3  1  0.183  0.691  0.029  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  P  P6  1  0.536  0.649  0.869  1.0
  P  P7  1  0.036  0.351  0.631  1.0
  P  P8  1  0.464  0.351  0.131  1.0
  P  P9  1  0.964  0.649  0.369  1.0
  S  S10  1  0.566  0.449  0.751  1.0
  S  S11  1  0.066  0.551  0.749  1.0
  S  S12  1  0.434  0.551  0.249  1.0
  S  S13  1  0.934  0.449  0.251  1.0
  S  S14  1  0.577  0.070  0.248  1.0
  S  S15  1  0.077  0.930  0.252  1.0
  S  S16  1  0.423  0.930  0.752  1.0
  S  S17  1  0.923  0.070  0.748  1.0
  S  S18  1  0.333  0.215  0.068  1.0
  S  S19  1  0.833  0.785  0.432  1.0
  S  S20  1  0.667  0.785  0.932  1.0
  S  S21  1  0.167  0.215  0.568  1.0
[/CIF]
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The material structure described by K2Mn(PS3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms. Mn(1) is bonded in a distorted octahedral geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. P(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent K(1), one Mn(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing SK3MnP trigonal bipyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mn(1), and one P(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Mn(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.332
_cell_length_b   6.194
_cell_length_c   8.849
_cell_angle_alpha   58.031
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.389
_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  0.317  0.691  0.529  1.0
  K  K1  1  0.817  0.309  0.971  1.0
  K  K2  1  0.683  0.309  0.471  1.0
  K  K3  1  0.183  0.691  0.029  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  P  P6  1  0.536  0.649  0.869  1.0
  P  P7  1  0.036  0.351  0.631  1.0
  P  P8  1  0.464  0.351  0.131  1.0
  P  P9  1  0.964  0.649  0.369  1.0
  S  S10  1  0.566  0.449  0.751  1.0
  S  S11  1  0.066  0.551  0.749  1.0
  S  S12  1  0.434  0.551  0.249  1.0
  S  S13  1  0.934  0.449  0.251  1.0
  S  S14  1  0.577  0.070  0.248  1.0
  S  S15  1  0.077  0.930  0.252  1.0
  S  S16  1  0.423  0.930  0.752  1.0
  S  S17  1  0.923  0.070  0.748  1.0
  S  S18  1  0.333  0.215  0.068  1.0
  S  S19  1  0.833  0.785  0.432  1.0
  S  S20  1  0.667  0.785  0.932  1.0
  S  S21  1  0.167  0.215  0.568  1.0
[/CIF]
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