The material structure described by K4Ti3S14 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to one S(3), one S(4), one S(5), two equivalent S(1), two equivalent S(7), and three equivalent S(6) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one S(1), one S(3), one S(4), one S(6), one S(7), two equivalent S(2), and two equivalent S(5) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(2), one S(3), one S(4), one S(6), one S(7), and two equivalent S(1) atoms to form distorted TiS7 pentagonal bipyramids that share  an edgeedge with one Ti(1)S7 pentagonal bipyramid and  a faceface with one Ti(2)S8 hexagonal bipyramid. In the second Ti site, Ti(2) is bonded to two equivalent S(2), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms to form distorted face-sharing TiS8 hexagonal bipyramids. There are seven inequivalent S sites. In the first S site, S(2) is bonded in a 4-coordinate geometry to two equivalent K(2), one Ti(1), one Ti(2), and one S(7) atom. In the second S site, S(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Ti(1), one Ti(2), and one S(5) atom. In the third S site, S(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Ti(1), one Ti(2), and one S(6) atom. In the fourth S site, S(5) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Ti(2), and one S(3) atom. In the fifth S site, S(6) is bonded in a 6-coordinate geometry to one K(2), three equivalent K(1), one Ti(1), and one S(4) atom. In the sixth S site, S(7) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Ti(1), and one S(2) atom. In the seventh S site, S(1) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4Ti3S14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.299
_cell_length_b   11.299
_cell_length_c   13.050
_cell_angle_alpha   68.989
_cell_angle_beta   68.989
_cell_angle_gamma   41.471
_symmetry_Int_Tables_number   1
_cell_volume   1018.995
_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  0.022  0.380  0.889  1.0
  K  K1  1  0.620  0.978  0.611  1.0
  K  K2  1  0.978  0.620  0.111  1.0
  K  K3  1  0.380  0.022  0.389  1.0
  K  K4  1  0.188  0.669  0.648  1.0
  K  K5  1  0.331  0.812  0.852  1.0
  K  K6  1  0.812  0.331  0.352  1.0
  K  K7  1  0.669  0.188  0.148  1.0
  Ti  Ti8  1  0.921  0.414  0.585  1.0
  Ti  Ti9  1  0.586  0.079  0.915  1.0
  Ti  Ti10  1  0.079  0.586  0.415  1.0
  Ti  Ti11  1  0.414  0.921  0.085  1.0
  Ti  Ti12  1  0.764  0.236  0.750  1.0
  Ti  Ti13  1  0.236  0.764  0.250  1.0
  S  S14  1  0.989  0.569  0.603  1.0
  S  S15  1  0.431  0.011  0.897  1.0
  S  S16  1  0.011  0.431  0.397  1.0
  S  S17  1  0.569  0.989  0.103  1.0
  S  S18  1  0.655  0.485  0.580  1.0
  S  S19  1  0.515  0.345  0.920  1.0
  S  S20  1  0.345  0.515  0.420  1.0
  S  S21  1  0.485  0.655  0.080  1.0
  S  S22  1  0.757  0.433  0.794  1.0
  S  S23  1  0.567  0.243  0.706  1.0
  S  S24  1  0.243  0.567  0.206  1.0
  S  S25  1  0.433  0.757  0.294  1.0
  S  S26  1  0.075  0.098  0.631  1.0
  S  S27  1  0.902  0.925  0.869  1.0
  S  S28  1  0.925  0.902  0.369  1.0
  S  S29  1  0.098  0.075  0.131  1.0
  S  S30  1  0.887  0.191  0.898  1.0
  S  S31  1  0.809  0.113  0.602  1.0
  S  S32  1  0.113  0.809  0.102  1.0
  S  S33  1  0.191  0.887  0.398  1.0
  S  S34  1  0.847  0.807  0.835  1.0
  S  S35  1  0.193  0.153  0.665  1.0
  S  S36  1  0.153  0.193  0.165  1.0
  S  S37  1  0.807  0.847  0.335  1.0
  S  S38  1  0.302  0.403  0.900  1.0
  S  S39  1  0.597  0.698  0.600  1.0
  S  S40  1  0.698  0.597  0.100  1.0
  S  S41  1  0.403  0.302  0.400  1.0
[/CIF]
.
The material structure described by K4Ti3S14 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to one S(3), one S(4), one S(5), two equivalent S(1), two equivalent S(7), and three equivalent S(6) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one S(1), one S(3), one S(4), one S(6), one S(7), two equivalent S(2), and two equivalent S(5) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(2), one S(3), one S(4), one S(6), one S(7), and two equivalent S(1) atoms to form distorted TiS7 pentagonal bipyramids that share  an edgeedge with one Ti(1)S7 pentagonal bipyramid and  a faceface with one Ti(2)S8 hexagonal bipyramid. In the second Ti site, Ti(2) is bonded to two equivalent S(2), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms to form distorted face-sharing TiS8 hexagonal bipyramids. There are seven inequivalent S sites. In the first S site, S(2) is bonded in a 4-coordinate geometry to two equivalent K(2), one Ti(1), one Ti(2), and one S(7) atom. In the second S site, S(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Ti(1), one Ti(2), and one S(5) atom. In the third S site, S(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Ti(1), one Ti(2), and one S(6) atom. In the fourth S site, S(5) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Ti(2), and one S(3) atom. In the fifth S site, S(6) is bonded in a 6-coordinate geometry to one K(2), three equivalent K(1), one Ti(1), and one S(4) atom. In the sixth S site, S(7) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Ti(1), and one S(2) atom. In the seventh S site, S(1) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4Ti3S14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.299
_cell_length_b   11.299
_cell_length_c   13.050
_cell_angle_alpha   68.989
_cell_angle_beta   68.989
_cell_angle_gamma   41.471
_symmetry_Int_Tables_number   1
_cell_volume   1018.995
_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  0.022  0.380  0.889  1.0
  K  K1  1  0.620  0.978  0.611  1.0
  K  K2  1  0.978  0.620  0.111  1.0
  K  K3  1  0.380  0.022  0.389  1.0
  K  K4  1  0.188  0.669  0.648  1.0
  K  K5  1  0.331  0.812  0.852  1.0
  K  K6  1  0.812  0.331  0.352  1.0
  K  K7  1  0.669  0.188  0.148  1.0
  Ti  Ti8  1  0.921  0.414  0.585  1.0
  Ti  Ti9  1  0.586  0.079  0.915  1.0
  Ti  Ti10  1  0.079  0.586  0.415  1.0
  Ti  Ti11  1  0.414  0.921  0.085  1.0
  Ti  Ti12  1  0.764  0.236  0.750  1.0
  Ti  Ti13  1  0.236  0.764  0.250  1.0
  S  S14  1  0.989  0.569  0.603  1.0
  S  S15  1  0.431  0.011  0.897  1.0
  S  S16  1  0.011  0.431  0.397  1.0
  S  S17  1  0.569  0.989  0.103  1.0
  S  S18  1  0.655  0.485  0.580  1.0
  S  S19  1  0.515  0.345  0.920  1.0
  S  S20  1  0.345  0.515  0.420  1.0
  S  S21  1  0.485  0.655  0.080  1.0
  S  S22  1  0.757  0.433  0.794  1.0
  S  S23  1  0.567  0.243  0.706  1.0
  S  S24  1  0.243  0.567  0.206  1.0
  S  S25  1  0.433  0.757  0.294  1.0
  S  S26  1  0.075  0.098  0.631  1.0
  S  S27  1  0.902  0.925  0.869  1.0
  S  S28  1  0.925  0.902  0.369  1.0
  S  S29  1  0.098  0.075  0.131  1.0
  S  S30  1  0.887  0.191  0.898  1.0
  S  S31  1  0.809  0.113  0.602  1.0
  S  S32  1  0.113  0.809  0.102  1.0
  S  S33  1  0.191  0.887  0.398  1.0
  S  S34  1  0.847  0.807  0.835  1.0
  S  S35  1  0.193  0.153  0.665  1.0
  S  S36  1  0.153  0.193  0.165  1.0
  S  S37  1  0.807  0.847  0.335  1.0
  S  S38  1  0.302  0.403  0.900  1.0
  S  S39  1  0.597  0.698  0.600  1.0
  S  S40  1  0.698  0.597  0.100  1.0
  S  S41  1  0.403  0.302  0.400  1.0
[/CIF]
.