The structure described by MgPm2S4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form MgS4 tetrahedra that share corners with two equivalent Pm(1)S6 octahedra, corners with four equivalent Pm(2)S6 octahedra,  an edgeedge with one Pm(2)S6 octahedra, and edges with two equivalent Pm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form PmS6 octahedra that share corners with four equivalent Pm(2)S6 octahedra, corners with two equivalent Mg(1)S4 tetrahedra, edges with two equivalent Pm(1)S6 octahedra, edges with two equivalent Pm(2)S6 octahedra, and edges with two equivalent Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the second Pm site, Pm(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form PmS6 octahedra that share corners with four equivalent Pm(1)S6 octahedra, corners with four equivalent Pm(2)S6 octahedra, corners with four equivalent Mg(1)S4 tetrahedra, edges with two equivalent Pm(1)S6 octahedra, and  an edgeedge with one Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-58°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Pm(1), and two equivalent Pm(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Pm(2), and two equivalent Pm(1) atoms. In the third S site, S(3) is bonded to one Mg(1), one Pm(2), and two equivalent Pm(1) atoms to form distorted corner-sharing SPm3Mg trigonal pyramids. is represented by the CIF card [CIF]
data_Pm2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.811
_cell_length_b   8.124
_cell_length_c   6.614
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   742.062
_cell_formula_units_Z   4
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
  Pm  Pm0  1  0.000  0.000  0.500  1.0
  Pm  Pm1  1  0.500  0.000  0.000  1.0
  Pm  Pm2  1  0.500  0.500  0.000  1.0
  Pm  Pm3  1  0.000  0.500  0.500  1.0
  Pm  Pm4  1  0.229  0.750  0.990  1.0
  Pm  Pm5  1  0.771  0.250  0.010  1.0
  Pm  Pm6  1  0.271  0.250  0.490  1.0
  Pm  Pm7  1  0.729  0.750  0.510  1.0
  Mg  Mg8  1  0.095  0.250  0.919  1.0
  Mg  Mg9  1  0.905  0.750  0.081  1.0
  Mg  Mg10  1  0.405  0.750  0.419  1.0
  Mg  Mg11  1  0.595  0.250  0.581  1.0
  S  S12  1  0.170  0.016  0.742  1.0
  S  S13  1  0.830  0.984  0.258  1.0
  S  S14  1  0.330  0.984  0.242  1.0
  S  S15  1  0.670  0.016  0.758  1.0
  S  S16  1  0.670  0.484  0.758  1.0
  S  S17  1  0.330  0.516  0.242  1.0
  S  S18  1  0.830  0.516  0.258  1.0
  S  S19  1  0.170  0.484  0.742  1.0
  S  S20  1  0.067  0.750  0.241  1.0
  S  S21  1  0.933  0.250  0.759  1.0
  S  S22  1  0.433  0.250  0.741  1.0
  S  S23  1  0.567  0.750  0.259  1.0
  S  S24  1  0.091  0.250  0.281  1.0
  S  S25  1  0.909  0.750  0.719  1.0
  S  S26  1  0.409  0.750  0.781  1.0
  S  S27  1  0.591  0.250  0.219  1.0
[/CIF]
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The structure described by MgPm2S4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form MgS4 tetrahedra that share corners with two equivalent Pm(1)S6 octahedra, corners with four equivalent Pm(2)S6 octahedra,  an edgeedge with one Pm(2)S6 octahedra, and edges with two equivalent Pm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form PmS6 octahedra that share corners with four equivalent Pm(2)S6 octahedra, corners with two equivalent Mg(1)S4 tetrahedra, edges with two equivalent Pm(1)S6 octahedra, edges with two equivalent Pm(2)S6 octahedra, and edges with two equivalent Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the second Pm site, Pm(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form PmS6 octahedra that share corners with four equivalent Pm(1)S6 octahedra, corners with four equivalent Pm(2)S6 octahedra, corners with four equivalent Mg(1)S4 tetrahedra, edges with two equivalent Pm(1)S6 octahedra, and  an edgeedge with one Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-58°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Pm(1), and two equivalent Pm(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Pm(2), and two equivalent Pm(1) atoms. In the third S site, S(3) is bonded to one Mg(1), one Pm(2), and two equivalent Pm(1) atoms to form distorted corner-sharing SPm3Mg trigonal pyramids. is represented by the CIF card [CIF]
data_Pm2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.811
_cell_length_b   8.124
_cell_length_c   6.614
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   742.062
_cell_formula_units_Z   4
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
  Pm  Pm0  1  0.000  0.000  0.500  1.0
  Pm  Pm1  1  0.500  0.000  0.000  1.0
  Pm  Pm2  1  0.500  0.500  0.000  1.0
  Pm  Pm3  1  0.000  0.500  0.500  1.0
  Pm  Pm4  1  0.229  0.750  0.990  1.0
  Pm  Pm5  1  0.771  0.250  0.010  1.0
  Pm  Pm6  1  0.271  0.250  0.490  1.0
  Pm  Pm7  1  0.729  0.750  0.510  1.0
  Mg  Mg8  1  0.095  0.250  0.919  1.0
  Mg  Mg9  1  0.905  0.750  0.081  1.0
  Mg  Mg10  1  0.405  0.750  0.419  1.0
  Mg  Mg11  1  0.595  0.250  0.581  1.0
  S  S12  1  0.170  0.016  0.742  1.0
  S  S13  1  0.830  0.984  0.258  1.0
  S  S14  1  0.330  0.984  0.242  1.0
  S  S15  1  0.670  0.016  0.758  1.0
  S  S16  1  0.670  0.484  0.758  1.0
  S  S17  1  0.330  0.516  0.242  1.0
  S  S18  1  0.830  0.516  0.258  1.0
  S  S19  1  0.170  0.484  0.742  1.0
  S  S20  1  0.067  0.750  0.241  1.0
  S  S21  1  0.933  0.250  0.759  1.0
  S  S22  1  0.433  0.250  0.741  1.0
  S  S23  1  0.567  0.750  0.259  1.0
  S  S24  1  0.091  0.250  0.281  1.0
  S  S25  1  0.909  0.750  0.719  1.0
  S  S26  1  0.409  0.750  0.781  1.0
  S  S27  1  0.591  0.250  0.219  1.0
[/CIF]
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