The structure described by Sr2Mg(TiS3)2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to two equivalent S(2) and two equivalent S(3) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. Mg(1) is bonded in a 3-coordinate geometry to one S(4) and two equivalent S(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one S(2), two equivalent S(1), and two equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Sr(2) and two equivalent Ti(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Sr(1), one Mg(1), and two equivalent Ti(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Sr(2) and one Mg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Mg(TiS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   7.668
_cell_length_c   7.668
_cell_angle_alpha   126.548
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.484
_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
  Sr  Sr0  1  0.250  0.672  0.328  1.0
  Sr  Sr1  1  0.750  0.346  0.654  1.0
  Mg  Mg2  1  0.250  0.104  0.896  1.0
  Ti  Ti3  1  0.521  0.930  0.070  1.0
  Ti  Ti4  1  0.979  0.930  0.070  1.0
  S  S5  1  0.750  0.791  0.760  1.0
  S  S6  1  0.750  0.782  0.218  1.0
  S  S7  1  0.750  0.240  0.209  1.0
  S  S8  1  0.250  0.217  0.266  1.0
  S  S9  1  0.250  0.268  0.732  1.0
  S  S10  1  0.250  0.734  0.783  1.0
[/CIF]
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The structure described by Sr2Mg(TiS3)2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to two equivalent S(2) and two equivalent S(3) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. Mg(1) is bonded in a 3-coordinate geometry to one S(4) and two equivalent S(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one S(2), two equivalent S(1), and two equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Sr(2) and two equivalent Ti(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Sr(1), one Mg(1), and two equivalent Ti(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Sr(2) and one Mg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Mg(TiS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   7.668
_cell_length_c   7.668
_cell_angle_alpha   126.548
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.484
_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
  Sr  Sr0  1  0.250  0.672  0.328  1.0
  Sr  Sr1  1  0.750  0.346  0.654  1.0
  Mg  Mg2  1  0.250  0.104  0.896  1.0
  Ti  Ti3  1  0.521  0.930  0.070  1.0
  Ti  Ti4  1  0.979  0.930  0.070  1.0
  S  S5  1  0.750  0.791  0.760  1.0
  S  S6  1  0.750  0.782  0.218  1.0
  S  S7  1  0.750  0.240  0.209  1.0
  S  S8  1  0.250  0.217  0.266  1.0
  S  S9  1  0.250  0.268  0.732  1.0
  S  S10  1  0.250  0.734  0.783  1.0
[/CIF]
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