The material structure described by Ba2Mg(TiS3)2 crystallizes in the trigonal P3m1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent S(2) and six equivalent S(1) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to two equivalent Mg(1), three equivalent S(1), and six equivalent S(2) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(2) and three equivalent S(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form face-sharing TiS6 octahedra. In the second Ti site, Ti(2) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form face-sharing TiS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one Ti(1), and one Ti(2) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. is represented by the CIF file [CIF]
data_Ba2Mg(TiS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.011
_cell_length_b   7.011
_cell_length_c   6.335
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   269.635
_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
  Ba  Ba0  1  0.333  0.667  0.670  1.0
  Ba  Ba1  1  0.667  0.333  0.137  1.0
  Mg  Mg2  1  0.667  0.333  0.641  1.0
  Ti  Ti3  1  0.000  0.000  0.052  1.0
  Ti  Ti4  1  0.000  0.000  0.486  1.0
  S  S5  1  0.846  0.154  0.770  1.0
  S  S6  1  0.676  0.838  0.270  1.0
  S  S7  1  0.162  0.324  0.270  1.0
  S  S8  1  0.846  0.692  0.770  1.0
  S  S9  1  0.162  0.838  0.270  1.0
  S  S10  1  0.308  0.154  0.770  1.0
[/CIF]
.
The material structure described by Ba2Mg(TiS3)2 crystallizes in the trigonal P3m1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent S(2) and six equivalent S(1) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to two equivalent Mg(1), three equivalent S(1), and six equivalent S(2) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(2) and three equivalent S(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form face-sharing TiS6 octahedra. In the second Ti site, Ti(2) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form face-sharing TiS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one Ti(1), and one Ti(2) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. is represented by the CIF file [CIF]
data_Ba2Mg(TiS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.011
_cell_length_b   7.011
_cell_length_c   6.335
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   269.635
_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
  Ba  Ba0  1  0.333  0.667  0.670  1.0
  Ba  Ba1  1  0.667  0.333  0.137  1.0
  Mg  Mg2  1  0.667  0.333  0.641  1.0
  Ti  Ti3  1  0.000  0.000  0.052  1.0
  Ti  Ti4  1  0.000  0.000  0.486  1.0
  S  S5  1  0.846  0.154  0.770  1.0
  S  S6  1  0.676  0.838  0.270  1.0
  S  S7  1  0.162  0.324  0.270  1.0
  S  S8  1  0.846  0.692  0.770  1.0
  S  S9  1  0.162  0.838  0.270  1.0
  S  S10  1  0.308  0.154  0.770  1.0
[/CIF]
.