The material structure described by Cs4MgTi2(AgS2)4 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent S(2) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Mg(1) is bonded to two equivalent Cs(1) and four equivalent S(2) atoms to form MgCs2S4 octahedra that share edges with two equivalent Ti(1)S4 tetrahedra. Ti(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form TiS4 tetrahedra that share  an edgeedge with one Mg(1)Cs2S4 octahedra. Ag(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to four equivalent Cs(2), one Ti(1), and two equivalent Ag(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), one Mg(1), one Ti(1), and two equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_Cs4MgTi2(AgS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.339
_cell_length_b   6.339
_cell_length_c   13.701
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   84.221
_symmetry_Int_Tables_number   1
_cell_volume   547.774
_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
  Cs  Cs0  1  0.821  0.821  0.000  1.0
  Cs  Cs1  1  0.232  0.768  0.500  1.0
  Cs  Cs2  1  0.768  0.232  0.500  1.0
  Cs  Cs3  1  0.179  0.179  0.000  1.0
  Mg  Mg4  1  0.500  0.500  0.000  1.0
  Ti  Ti5  1  0.500  0.500  0.745  1.0
  Ti  Ti6  1  0.500  0.500  0.255  1.0
  Ag  Ag7  1  0.000  0.500  0.750  1.0
  Ag  Ag8  1  0.500  0.000  0.750  1.0
  Ag  Ag9  1  0.000  0.500  0.250  1.0
  Ag  Ag10  1  0.500  0.000  0.250  1.0
  S  S11  1  0.705  0.705  0.652  1.0
  S  S12  1  0.295  0.295  0.652  1.0
  S  S13  1  0.705  0.705  0.348  1.0
  S  S14  1  0.704  0.296  0.137  1.0
  S  S15  1  0.296  0.704  0.863  1.0
  S  S16  1  0.295  0.295  0.348  1.0
  S  S17  1  0.296  0.704  0.137  1.0
  S  S18  1  0.704  0.296  0.863  1.0
[/CIF]
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The material structure described by Cs4MgTi2(AgS2)4 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent S(2) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Mg(1) is bonded to two equivalent Cs(1) and four equivalent S(2) atoms to form MgCs2S4 octahedra that share edges with two equivalent Ti(1)S4 tetrahedra. Ti(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form TiS4 tetrahedra that share  an edgeedge with one Mg(1)Cs2S4 octahedra. Ag(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to four equivalent Cs(2), one Ti(1), and two equivalent Ag(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), one Mg(1), one Ti(1), and two equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_Cs4MgTi2(AgS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.339
_cell_length_b   6.339
_cell_length_c   13.701
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   84.221
_symmetry_Int_Tables_number   1
_cell_volume   547.774
_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
  Cs  Cs0  1  0.821  0.821  0.000  1.0
  Cs  Cs1  1  0.232  0.768  0.500  1.0
  Cs  Cs2  1  0.768  0.232  0.500  1.0
  Cs  Cs3  1  0.179  0.179  0.000  1.0
  Mg  Mg4  1  0.500  0.500  0.000  1.0
  Ti  Ti5  1  0.500  0.500  0.745  1.0
  Ti  Ti6  1  0.500  0.500  0.255  1.0
  Ag  Ag7  1  0.000  0.500  0.750  1.0
  Ag  Ag8  1  0.500  0.000  0.750  1.0
  Ag  Ag9  1  0.000  0.500  0.250  1.0
  Ag  Ag10  1  0.500  0.000  0.250  1.0
  S  S11  1  0.705  0.705  0.652  1.0
  S  S12  1  0.295  0.295  0.652  1.0
  S  S13  1  0.705  0.705  0.348  1.0
  S  S14  1  0.704  0.296  0.137  1.0
  S  S15  1  0.296  0.704  0.863  1.0
  S  S16  1  0.295  0.295  0.348  1.0
  S  S17  1  0.296  0.704  0.137  1.0
  S  S18  1  0.704  0.296  0.863  1.0
[/CIF]
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