The structure described by Mg(TiS3)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one S(2), one S(5), two equivalent S(1), and two equivalent S(6) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ti(2) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Ti(1) atoms. In the third S site, S(3) is bonded to two equivalent Ti(1) and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing STi4 trigonal pyramids. In the fourth S site, S(4) is bonded to two equivalent Ti(1) and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing STi4 tetrahedra. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Ti(1) atoms. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Mg(TiS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.420
_cell_length_b   5.029
_cell_length_c   9.306
_cell_angle_alpha   89.859
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.071
_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
  Mg  Mg0  1  0.750  0.243  0.029  1.0
  Ti  Ti1  1  0.250  0.738  0.651  1.0
  Ti  Ti2  1  0.750  0.242  0.354  1.0
  S  S3  1  0.250  0.991  0.192  1.0
  S  S4  1  0.750  0.976  0.800  1.0
  S  S5  1  0.750  0.740  0.458  1.0
  S  S6  1  0.250  0.239  0.540  1.0
  S  S7  1  0.750  0.496  0.798  1.0
  S  S8  1  0.250  0.495  0.192  1.0
[/CIF]
.
The structure described by Mg(TiS3)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one S(2), one S(5), two equivalent S(1), and two equivalent S(6) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ti(2) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Ti(1) atoms. In the third S site, S(3) is bonded to two equivalent Ti(1) and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing STi4 trigonal pyramids. In the fourth S site, S(4) is bonded to two equivalent Ti(1) and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing STi4 tetrahedra. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Ti(1) atoms. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Mg(TiS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.420
_cell_length_b   5.029
_cell_length_c   9.306
_cell_angle_alpha   89.859
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.071
_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
  Mg  Mg0  1  0.750  0.243  0.029  1.0
  Ti  Ti1  1  0.250  0.738  0.651  1.0
  Ti  Ti2  1  0.750  0.242  0.354  1.0
  S  S3  1  0.250  0.991  0.192  1.0
  S  S4  1  0.750  0.976  0.800  1.0
  S  S5  1  0.750  0.740  0.458  1.0
  S  S6  1  0.250  0.239  0.540  1.0
  S  S7  1  0.750  0.496  0.798  1.0
  S  S8  1  0.250  0.495  0.192  1.0
[/CIF]
.