The material described by K2InP2S7 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to one S(2), one S(5), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. In(1) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(5) atoms to form InS6 octahedra that share  an edgeedge with one In(1)S6 octahedra and edges with two equivalent P(2)S4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one S(2), and two equivalent S(3) atoms. In the second P site, P(2) is bonded to one S(4), one S(5), and two equivalent S(1) atoms to form PS4 tetrahedra that share edges with two equivalent In(1)S6 octahedra. There are five inequivalent S sites. In the first S site, S(5) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent In(1), and one P(2) atom. In the second S site, S(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one In(1), and one P(2) atom. In the third S site, S(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom. In the fourth S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one In(1), and one P(1) atom. In the fifth S site, S(4) is bonded to four equivalent K(1) and one P(2) atom to form distorted edge-sharing SK4P square pyramids. is represented by the CIF file [CIF]
data_K2InP2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.093
_cell_length_b   9.093
_cell_length_c   8.835
_cell_angle_alpha   74.432
_cell_angle_beta   74.432
_cell_angle_gamma   72.617
_symmetry_Int_Tables_number   1
_cell_volume   657.305
_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  0.612  0.047  0.159  1.0
  K  K1  1  0.953  0.388  0.841  1.0
  K  K2  1  0.388  0.953  0.841  1.0
  K  K3  1  0.047  0.612  0.159  1.0
  In  In4  1  0.689  0.311  0.500  1.0
  In  In5  1  0.311  0.689  0.500  1.0
  P  P6  1  0.940  0.940  0.441  1.0
  P  P7  1  0.060  0.060  0.559  1.0
  P  P8  1  0.390  0.390  0.815  1.0
  P  P9  1  0.610  0.610  0.185  1.0
  S  S10  1  0.692  0.370  0.196  1.0
  S  S11  1  0.630  0.308  0.804  1.0
  S  S12  1  0.308  0.630  0.804  1.0
  S  S13  1  0.370  0.692  0.196  1.0
  S  S14  1  0.994  0.994  0.203  1.0
  S  S15  1  0.006  0.006  0.797  1.0
  S  S16  1  0.703  0.014  0.534  1.0
  S  S17  1  0.986  0.297  0.466  1.0
  S  S18  1  0.297  0.986  0.466  1.0
  S  S19  1  0.014  0.703  0.534  1.0
  S  S20  1  0.270  0.270  0.010  1.0
  S  S21  1  0.730  0.730  0.990  1.0
  S  S22  1  0.361  0.361  0.595  1.0
  S  S23  1  0.639  0.639  0.405  1.0
[/CIF]
.
The material described by K2InP2S7 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to one S(2), one S(5), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. In(1) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(5) atoms to form InS6 octahedra that share  an edgeedge with one In(1)S6 octahedra and edges with two equivalent P(2)S4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one S(2), and two equivalent S(3) atoms. In the second P site, P(2) is bonded to one S(4), one S(5), and two equivalent S(1) atoms to form PS4 tetrahedra that share edges with two equivalent In(1)S6 octahedra. There are five inequivalent S sites. In the first S site, S(5) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent In(1), and one P(2) atom. In the second S site, S(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one In(1), and one P(2) atom. In the third S site, S(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom. In the fourth S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one In(1), and one P(1) atom. In the fifth S site, S(4) is bonded to four equivalent K(1) and one P(2) atom to form distorted edge-sharing SK4P square pyramids. is represented by the CIF file [CIF]
data_K2InP2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.093
_cell_length_b   9.093
_cell_length_c   8.835
_cell_angle_alpha   74.432
_cell_angle_beta   74.432
_cell_angle_gamma   72.617
_symmetry_Int_Tables_number   1
_cell_volume   657.305
_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  0.612  0.047  0.159  1.0
  K  K1  1  0.953  0.388  0.841  1.0
  K  K2  1  0.388  0.953  0.841  1.0
  K  K3  1  0.047  0.612  0.159  1.0
  In  In4  1  0.689  0.311  0.500  1.0
  In  In5  1  0.311  0.689  0.500  1.0
  P  P6  1  0.940  0.940  0.441  1.0
  P  P7  1  0.060  0.060  0.559  1.0
  P  P8  1  0.390  0.390  0.815  1.0
  P  P9  1  0.610  0.610  0.185  1.0
  S  S10  1  0.692  0.370  0.196  1.0
  S  S11  1  0.630  0.308  0.804  1.0
  S  S12  1  0.308  0.630  0.804  1.0
  S  S13  1  0.370  0.692  0.196  1.0
  S  S14  1  0.994  0.994  0.203  1.0
  S  S15  1  0.006  0.006  0.797  1.0
  S  S16  1  0.703  0.014  0.534  1.0
  S  S17  1  0.986  0.297  0.466  1.0
  S  S18  1  0.297  0.986  0.466  1.0
  S  S19  1  0.014  0.703  0.534  1.0
  S  S20  1  0.270  0.270  0.010  1.0
  S  S21  1  0.730  0.730  0.990  1.0
  S  S22  1  0.361  0.361  0.595  1.0
  S  S23  1  0.639  0.639  0.405  1.0
[/CIF]
.