The material described by MgAg2Cu4(PS4)2 is Chalcostibite-derived structured and crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one Ag(1), one S(3), one S(5), two equivalent S(1), and two equivalent S(2) atoms to form distorted MgAgS6 octahedra that share corners with two equivalent Ag(2)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with two equivalent P(2)S4 tetrahedra,  a cornercorner with one S(5)MgCu2Ag trigonal pyramid, and edges with two equivalent Cu(2)S4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent Cu(1), one S(3), one S(5), and two equivalent S(2) atoms. In the second Ag site, Ag(2) is bonded to one S(4), one S(6), and two equivalent S(1) atoms to form distorted AgS4 tetrahedra that share corners with two equivalent Mg(1)AgS6 octahedra, corners with two equivalent P(2)S4 tetrahedra, and corners with four equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one Ag(1), one S(1), one S(3), and one S(6) atom. In the second Cu site, Cu(2) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form CuS4 tetrahedra that share  a cornercorner with one Mg(1)AgS6 octahedra, corners with two equivalent Ag(2)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with two equivalent P(2)S4 tetrahedra, and  an edgeedge with one Mg(1)AgS6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent P sites. In the first P site, P(1) is bonded in a trigonal non-coplanar geometry to one S(3) and two equivalent S(1) atoms. In the second P site, P(2) is bonded to one S(4), one S(6), and two equivalent S(2) atoms to form PS4 tetrahedra that share corners with two equivalent Mg(1)AgS6 octahedra, corners with two equivalent Ag(2)S4 tetrahedra, and corners with four equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Ag(2), one Cu(1), one Cu(2), and one P(1) atom to form distorted SMgCu2AgP square pyramids that share  a cornercorner with one S(1)MgCu2AgP square pyramid, corners with two equivalent S(4)Cu2AgP tetrahedra, corners with two equivalent S(6)Cu2AgP tetrahedra,  an edgeedge with one S(1)MgCu2AgP square pyramid, and  an edgeedge with one S(5)MgCu2Ag trigonal pyramid. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Mg(1), one Ag(1), one Cu(2), and one P(2) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ag(1), two equivalent Cu(1), and one P(1) atom. In the fourth S site, S(4) is bonded to one Ag(2), two equivalent Cu(2), and one P(2) atom to form SCu2AgP tetrahedra that share corners with four equivalent S(1)MgCu2AgP square pyramids, corners with two equivalent S(6)Cu2AgP tetrahedra, and corners with two equivalent S(5)MgCu2Ag trigonal pyramids. In the fifth S site, S(5) is bonded to one Mg(1), one Ag(1), and two equivalent Cu(2) atoms to form SMgCu2Ag trigonal pyramids that share  a cornercorner with one Mg(1)AgS6 octahedra, corners with two equivalent S(4)Cu2AgP tetrahedra, and edges with two equivalent S(1)MgCu2AgP square pyramids. The corner-sharing octahedral tilt angles are 131°. In the sixth S site, S(6) is bonded to one Ag(2), two equivalent Cu(1), and one P(2) atom to form SCu2AgP tetrahedra that share corners with four equivalent S(1)MgCu2AgP square pyramids and corners with two equivalent S(4)Cu2AgP tetrahedra. is represented by the CIF file [CIF]
data_MgCu4Ag2(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   7.396
_cell_length_c   7.428
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.550
_symmetry_Int_Tables_number   1
_cell_volume   337.541
_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
  Mg  Mg0  1  0.126  0.952  0.500  1.0
  Cu  Cu1  1  0.061  0.276  0.241  1.0
  Cu  Cu2  1  0.061  0.276  0.759  1.0
  Cu  Cu3  1  0.498  0.829  0.240  1.0
  Cu  Cu4  1  0.498  0.829  0.760  1.0
  Ag  Ag5  1  0.016  0.546  0.500  1.0
  Ag  Ag6  1  0.473  0.369  0.000  1.0
  P  P7  1  0.511  0.294  0.500  1.0
  P  P8  1  0.994  0.686  0.000  1.0
  S  S9  1  0.393  0.142  0.268  1.0
  S  S10  1  0.393  0.142  0.732  1.0
  S  S11  1  0.866  0.805  0.228  1.0
  S  S12  1  0.866  0.805  0.772  1.0
  S  S13  1  0.862  0.223  0.500  1.0
  S  S14  1  0.335  0.695  0.000  1.0
  S  S15  1  0.372  0.705  0.500  1.0
  S  S16  1  0.899  0.405  0.000  1.0
[/CIF]
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The material described by MgAg2Cu4(PS4)2 is Chalcostibite-derived structured and crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one Ag(1), one S(3), one S(5), two equivalent S(1), and two equivalent S(2) atoms to form distorted MgAgS6 octahedra that share corners with two equivalent Ag(2)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with two equivalent P(2)S4 tetrahedra,  a cornercorner with one S(5)MgCu2Ag trigonal pyramid, and edges with two equivalent Cu(2)S4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent Cu(1), one S(3), one S(5), and two equivalent S(2) atoms. In the second Ag site, Ag(2) is bonded to one S(4), one S(6), and two equivalent S(1) atoms to form distorted AgS4 tetrahedra that share corners with two equivalent Mg(1)AgS6 octahedra, corners with two equivalent P(2)S4 tetrahedra, and corners with four equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one Ag(1), one S(1), one S(3), and one S(6) atom. In the second Cu site, Cu(2) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form CuS4 tetrahedra that share  a cornercorner with one Mg(1)AgS6 octahedra, corners with two equivalent Ag(2)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with two equivalent P(2)S4 tetrahedra, and  an edgeedge with one Mg(1)AgS6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent P sites. In the first P site, P(1) is bonded in a trigonal non-coplanar geometry to one S(3) and two equivalent S(1) atoms. In the second P site, P(2) is bonded to one S(4), one S(6), and two equivalent S(2) atoms to form PS4 tetrahedra that share corners with two equivalent Mg(1)AgS6 octahedra, corners with two equivalent Ag(2)S4 tetrahedra, and corners with four equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Ag(2), one Cu(1), one Cu(2), and one P(1) atom to form distorted SMgCu2AgP square pyramids that share  a cornercorner with one S(1)MgCu2AgP square pyramid, corners with two equivalent S(4)Cu2AgP tetrahedra, corners with two equivalent S(6)Cu2AgP tetrahedra,  an edgeedge with one S(1)MgCu2AgP square pyramid, and  an edgeedge with one S(5)MgCu2Ag trigonal pyramid. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Mg(1), one Ag(1), one Cu(2), and one P(2) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ag(1), two equivalent Cu(1), and one P(1) atom. In the fourth S site, S(4) is bonded to one Ag(2), two equivalent Cu(2), and one P(2) atom to form SCu2AgP tetrahedra that share corners with four equivalent S(1)MgCu2AgP square pyramids, corners with two equivalent S(6)Cu2AgP tetrahedra, and corners with two equivalent S(5)MgCu2Ag trigonal pyramids. In the fifth S site, S(5) is bonded to one Mg(1), one Ag(1), and two equivalent Cu(2) atoms to form SMgCu2Ag trigonal pyramids that share  a cornercorner with one Mg(1)AgS6 octahedra, corners with two equivalent S(4)Cu2AgP tetrahedra, and edges with two equivalent S(1)MgCu2AgP square pyramids. The corner-sharing octahedral tilt angles are 131°. In the sixth S site, S(6) is bonded to one Ag(2), two equivalent Cu(1), and one P(2) atom to form SCu2AgP tetrahedra that share corners with four equivalent S(1)MgCu2AgP square pyramids and corners with two equivalent S(4)Cu2AgP tetrahedra. is represented by the CIF file [CIF]
data_MgCu4Ag2(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   7.396
_cell_length_c   7.428
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.550
_symmetry_Int_Tables_number   1
_cell_volume   337.541
_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
  Mg  Mg0  1  0.126  0.952  0.500  1.0
  Cu  Cu1  1  0.061  0.276  0.241  1.0
  Cu  Cu2  1  0.061  0.276  0.759  1.0
  Cu  Cu3  1  0.498  0.829  0.240  1.0
  Cu  Cu4  1  0.498  0.829  0.760  1.0
  Ag  Ag5  1  0.016  0.546  0.500  1.0
  Ag  Ag6  1  0.473  0.369  0.000  1.0
  P  P7  1  0.511  0.294  0.500  1.0
  P  P8  1  0.994  0.686  0.000  1.0
  S  S9  1  0.393  0.142  0.268  1.0
  S  S10  1  0.393  0.142  0.732  1.0
  S  S11  1  0.866  0.805  0.228  1.0
  S  S12  1  0.866  0.805  0.772  1.0
  S  S13  1  0.862  0.223  0.500  1.0
  S  S14  1  0.335  0.695  0.000  1.0
  S  S15  1  0.372  0.705  0.500  1.0
  S  S16  1  0.899  0.405  0.000  1.0
[/CIF]
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