The material described by MgAg2(PS3)2 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form distorted MgS6 octahedra that share corners with six equivalent P(1)PS3 tetrahedra and corners with eight equivalent Ag(1)S4 trigonal pyramids. Ag(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted AgS4 trigonal pyramids that share corners with four equivalent Mg(1)S6 octahedra, corners with four equivalent P(1)PS3 tetrahedra, and  an edgeedge with one Ag(1)S4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-70°. P(1) is bonded to one P(1), one S(1), one S(2), and one S(3) atom to form distorted PPS3 tetrahedra that share corners with three equivalent Mg(1)S6 octahedra,  a cornercorner with one S(2)MgAg2P tetrahedra, and corners with four equivalent Ag(1)S4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 69-70°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Ag(1), and one P(1) atom. In the second S site, S(2) is bonded to one Mg(1), two equivalent Ag(1), and one P(1) atom to form distorted SMgAg2P tetrahedra that share  a cornercorner with one P(1)PS3 tetrahedra,  a cornercorner with one S(2)MgAg2P tetrahedra, and  an edgeedge with one S(2)MgAg2P tetrahedra. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Ag(1), and one P(1) atom. is represented by the CIF file [CIF]
data_MgAg2(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.373
_cell_length_b   6.373
_cell_length_c   13.705
_cell_angle_alpha   85.831
_cell_angle_beta   85.831
_cell_angle_gamma   119.665
_symmetry_Int_Tables_number   1
_cell_volume   478.555
_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
  Mg  Mg0  1  0.423  0.577  0.250  1.0
  Mg  Mg1  1  0.577  0.423  0.750  1.0
  Ag  Ag2  1  0.035  0.856  0.400  1.0
  Ag  Ag3  1  0.965  0.144  0.600  1.0
  Ag  Ag4  1  0.144  0.965  0.100  1.0
  Ag  Ag5  1  0.856  0.035  0.900  1.0
  P  P6  1  0.216  0.723  0.834  1.0
  P  P7  1  0.784  0.277  0.166  1.0
  P  P8  1  0.277  0.784  0.666  1.0
  P  P9  1  0.723  0.216  0.334  1.0
  S  S10  1  0.476  0.651  0.879  1.0
  S  S11  1  0.524  0.349  0.121  1.0
  S  S12  1  0.349  0.524  0.621  1.0
  S  S13  1  0.651  0.476  0.379  1.0
  S  S14  1  0.040  0.256  0.380  1.0
  S  S15  1  0.960  0.744  0.620  1.0
  S  S16  1  0.744  0.960  0.120  1.0
  S  S17  1  0.256  0.040  0.880  1.0
  S  S18  1  0.130  0.564  0.125  1.0
  S  S19  1  0.870  0.436  0.875  1.0
  S  S20  1  0.436  0.870  0.375  1.0
  S  S21  1  0.564  0.130  0.625  1.0
[/CIF]
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The material described by MgAg2(PS3)2 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form distorted MgS6 octahedra that share corners with six equivalent P(1)PS3 tetrahedra and corners with eight equivalent Ag(1)S4 trigonal pyramids. Ag(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted AgS4 trigonal pyramids that share corners with four equivalent Mg(1)S6 octahedra, corners with four equivalent P(1)PS3 tetrahedra, and  an edgeedge with one Ag(1)S4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-70°. P(1) is bonded to one P(1), one S(1), one S(2), and one S(3) atom to form distorted PPS3 tetrahedra that share corners with three equivalent Mg(1)S6 octahedra,  a cornercorner with one S(2)MgAg2P tetrahedra, and corners with four equivalent Ag(1)S4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 69-70°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Ag(1), and one P(1) atom. In the second S site, S(2) is bonded to one Mg(1), two equivalent Ag(1), and one P(1) atom to form distorted SMgAg2P tetrahedra that share  a cornercorner with one P(1)PS3 tetrahedra,  a cornercorner with one S(2)MgAg2P tetrahedra, and  an edgeedge with one S(2)MgAg2P tetrahedra. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Ag(1), and one P(1) atom. is represented by the CIF file [CIF]
data_MgAg2(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.373
_cell_length_b   6.373
_cell_length_c   13.705
_cell_angle_alpha   85.831
_cell_angle_beta   85.831
_cell_angle_gamma   119.665
_symmetry_Int_Tables_number   1
_cell_volume   478.555
_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
  Mg  Mg0  1  0.423  0.577  0.250  1.0
  Mg  Mg1  1  0.577  0.423  0.750  1.0
  Ag  Ag2  1  0.035  0.856  0.400  1.0
  Ag  Ag3  1  0.965  0.144  0.600  1.0
  Ag  Ag4  1  0.144  0.965  0.100  1.0
  Ag  Ag5  1  0.856  0.035  0.900  1.0
  P  P6  1  0.216  0.723  0.834  1.0
  P  P7  1  0.784  0.277  0.166  1.0
  P  P8  1  0.277  0.784  0.666  1.0
  P  P9  1  0.723  0.216  0.334  1.0
  S  S10  1  0.476  0.651  0.879  1.0
  S  S11  1  0.524  0.349  0.121  1.0
  S  S12  1  0.349  0.524  0.621  1.0
  S  S13  1  0.651  0.476  0.379  1.0
  S  S14  1  0.040  0.256  0.380  1.0
  S  S15  1  0.960  0.744  0.620  1.0
  S  S16  1  0.744  0.960  0.120  1.0
  S  S17  1  0.256  0.040  0.880  1.0
  S  S18  1  0.130  0.564  0.125  1.0
  S  S19  1  0.870  0.436  0.875  1.0
  S  S20  1  0.436  0.870  0.375  1.0
  S  S21  1  0.564  0.130  0.625  1.0
[/CIF]
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