The structure described by K2MgTi2(PS5)2 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one S(3), one S(5), one S(6), one S(8), two equivalent S(10), and two equivalent S(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(7), one S(9), two equivalent S(10), and two equivalent S(2) atoms. Mg(1) is bonded to one S(1), one S(3), one S(4), one S(5), one S(8), and one S(9) atom to form MgS6 octahedra that share  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, edges with two equivalent Ti(2)S6 octahedra,  an edgeedge with one P(1)S4 tetrahedra, and  an edgeedge with one P(2)S4 tetrahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(1), one S(4), one S(5), one S(6), one S(7), and one S(8) atom to form distorted TiS6 octahedra that share edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Ti(2)S6 octahedra,  an edgeedge with one P(1)S4 tetrahedra, and  an edgeedge with one P(2)S4 tetrahedra. In the second Ti site, Ti(2) is bonded to one S(3), one S(4), one S(6), one S(7), one S(8), and one S(9) atom to form distorted TiS6 octahedra that share edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra,  an edgeedge with one P(1)S4 tetrahedra, and  an edgeedge with one P(2)S4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one S(10), one S(3), one S(4), and one S(5) atom to form PS4 tetrahedra that share  a cornercorner with one Mg(1)S6 octahedra,  an edgeedge with one Mg(1)S6 octahedra,  an edgeedge with one Ti(1)S6 octahedra, and  an edgeedge with one Ti(2)S6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the second P site, P(2) is bonded to one S(1), one S(2), one S(8), and one S(9) atom to form PS4 tetrahedra that share  a cornercorner with one Mg(1)S6 octahedra,  an edgeedge with one Mg(1)S6 octahedra,  an edgeedge with one Ti(1)S6 octahedra, and  an edgeedge with one Ti(2)S6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are ten inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one K(2), one Mg(1), one Ti(1), and one P(2) atom. In the second S site, S(2) is bonded to two equivalent K(1), two equivalent K(2), and one P(2) atom to form distorted SK4P trigonal bipyramids that share  a cornercorner with one S(8)KMgTi2P trigonal bipyramid, corners with four equivalent S(2)K4P trigonal bipyramids,  an edgeedge with one S(8)KMgTi2P trigonal bipyramid, and edges with four equivalent S(10)K4P trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one K(1), one Mg(1), one Ti(2), and one P(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one Mg(1), one Ti(1), one Ti(2), and one P(1) atom. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Mg(1), one Ti(1), and one P(1) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one K(1), one Ti(1), and one Ti(2) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one K(2), one Ti(1), and one Ti(2) atom. In the eighth S site, S(8) is bonded to one K(1), one Mg(1), one Ti(1), one Ti(2), and one P(2) atom to form a mixture of distorted edge and corner-sharing SKMgTi2P trigonal bipyramids. In the ninth S site, S(9) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one Mg(1), one Ti(2), and one P(2) atom. In the tenth S site, S(10) is bonded to two equivalent K(1), two equivalent K(2), and one P(1) atom to form distorted SK4P trigonal bipyramids that share corners with two equivalent S(8)KMgTi2P trigonal bipyramids, corners with four equivalent S(10)K4P trigonal bipyramids, and edges with four equivalent S(2)K4P trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MgTi2(PS5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   7.218
_cell_length_c   9.847
_cell_angle_alpha   111.279
_cell_angle_beta   96.716
_cell_angle_gamma   90.438
_symmetry_Int_Tables_number   1
_cell_volume   428.307
_cell_formula_units_Z   1
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  0.712  0.213  0.427  1.0
  K  K1  1  0.266  0.768  0.535  1.0
  Mg  Mg2  1  0.995  0.491  0.982  1.0
  Ti  Ti3  1  0.496  0.784  0.984  1.0
  Ti  Ti4  1  0.497  0.197  0.978  1.0
  P  P5  1  0.709  0.620  0.240  1.0
  P  P6  1  0.279  0.362  0.723  1.0
  S  S7  1  0.153  0.638  0.818  1.0
  S  S8  1  0.232  0.252  0.505  1.0
  S  S9  1  0.839  0.345  0.147  1.0
  S  S10  1  0.400  0.575  0.149  1.0
  S  S11  1  0.838  0.800  0.142  1.0
  S  S12  1  0.349  0.062  0.129  1.0
  S  S13  1  0.643  0.919  0.833  1.0
  S  S14  1  0.590  0.404  0.808  1.0
  S  S15  1  0.153  0.183  0.823  1.0
  S  S16  1  0.747  0.730  0.458  1.0
[/CIF]
.
The structure described by K2MgTi2(PS5)2 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one S(3), one S(5), one S(6), one S(8), two equivalent S(10), and two equivalent S(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(7), one S(9), two equivalent S(10), and two equivalent S(2) atoms. Mg(1) is bonded to one S(1), one S(3), one S(4), one S(5), one S(8), and one S(9) atom to form MgS6 octahedra that share  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, edges with two equivalent Ti(2)S6 octahedra,  an edgeedge with one P(1)S4 tetrahedra, and  an edgeedge with one P(2)S4 tetrahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(1), one S(4), one S(5), one S(6), one S(7), and one S(8) atom to form distorted TiS6 octahedra that share edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Ti(2)S6 octahedra,  an edgeedge with one P(1)S4 tetrahedra, and  an edgeedge with one P(2)S4 tetrahedra. In the second Ti site, Ti(2) is bonded to one S(3), one S(4), one S(6), one S(7), one S(8), and one S(9) atom to form distorted TiS6 octahedra that share edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra,  an edgeedge with one P(1)S4 tetrahedra, and  an edgeedge with one P(2)S4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one S(10), one S(3), one S(4), and one S(5) atom to form PS4 tetrahedra that share  a cornercorner with one Mg(1)S6 octahedra,  an edgeedge with one Mg(1)S6 octahedra,  an edgeedge with one Ti(1)S6 octahedra, and  an edgeedge with one Ti(2)S6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the second P site, P(2) is bonded to one S(1), one S(2), one S(8), and one S(9) atom to form PS4 tetrahedra that share  a cornercorner with one Mg(1)S6 octahedra,  an edgeedge with one Mg(1)S6 octahedra,  an edgeedge with one Ti(1)S6 octahedra, and  an edgeedge with one Ti(2)S6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are ten inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one K(2), one Mg(1), one Ti(1), and one P(2) atom. In the second S site, S(2) is bonded to two equivalent K(1), two equivalent K(2), and one P(2) atom to form distorted SK4P trigonal bipyramids that share  a cornercorner with one S(8)KMgTi2P trigonal bipyramid, corners with four equivalent S(2)K4P trigonal bipyramids,  an edgeedge with one S(8)KMgTi2P trigonal bipyramid, and edges with four equivalent S(10)K4P trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one K(1), one Mg(1), one Ti(2), and one P(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one Mg(1), one Ti(1), one Ti(2), and one P(1) atom. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Mg(1), one Ti(1), and one P(1) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one K(1), one Ti(1), and one Ti(2) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one K(2), one Ti(1), and one Ti(2) atom. In the eighth S site, S(8) is bonded to one K(1), one Mg(1), one Ti(1), one Ti(2), and one P(2) atom to form a mixture of distorted edge and corner-sharing SKMgTi2P trigonal bipyramids. In the ninth S site, S(9) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one Mg(1), one Ti(2), and one P(2) atom. In the tenth S site, S(10) is bonded to two equivalent K(1), two equivalent K(2), and one P(1) atom to form distorted SK4P trigonal bipyramids that share corners with two equivalent S(8)KMgTi2P trigonal bipyramids, corners with four equivalent S(10)K4P trigonal bipyramids, and edges with four equivalent S(2)K4P trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MgTi2(PS5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   7.218
_cell_length_c   9.847
_cell_angle_alpha   111.279
_cell_angle_beta   96.716
_cell_angle_gamma   90.438
_symmetry_Int_Tables_number   1
_cell_volume   428.307
_cell_formula_units_Z   1
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  0.712  0.213  0.427  1.0
  K  K1  1  0.266  0.768  0.535  1.0
  Mg  Mg2  1  0.995  0.491  0.982  1.0
  Ti  Ti3  1  0.496  0.784  0.984  1.0
  Ti  Ti4  1  0.497  0.197  0.978  1.0
  P  P5  1  0.709  0.620  0.240  1.0
  P  P6  1  0.279  0.362  0.723  1.0
  S  S7  1  0.153  0.638  0.818  1.0
  S  S8  1  0.232  0.252  0.505  1.0
  S  S9  1  0.839  0.345  0.147  1.0
  S  S10  1  0.400  0.575  0.149  1.0
  S  S11  1  0.838  0.800  0.142  1.0
  S  S12  1  0.349  0.062  0.129  1.0
  S  S13  1  0.643  0.919  0.833  1.0
  S  S14  1  0.590  0.404  0.808  1.0
  S  S15  1  0.153  0.183  0.823  1.0
  S  S16  1  0.747  0.730  0.458  1.0
[/CIF]
.