The crystal structure described by AgCu2PS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Ag(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form AgS4 tetrahedra that share corners with four equivalent P(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent P(1)S4 tetrahedra. P(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form PS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1), two equivalent Cu(1), and one P(1) atom to form corner-sharing SCu2AgP tetrahedra. In the second S site, S(2) is bonded to one Ag(1), two equivalent Cu(1), and one P(1) atom to form corner-sharing SCu2AgP trigonal pyramids. In the third S site, S(3) is bonded to one Ag(1), two equivalent Cu(1), and one P(1) atom to form corner-sharing SCu2AgP tetrahedra. is represented by the CIF card [CIF]
data_Cu2AgPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.205
_cell_length_b   6.322
_cell_length_c   7.662
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.537
_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
  Cu  Cu0  1  0.010  0.185  0.753  1.0
  Cu  Cu1  1  0.010  0.185  0.247  1.0
  Cu  Cu2  1  0.510  0.815  0.747  1.0
  Cu  Cu3  1  0.510  0.815  0.253  1.0
  Ag  Ag4  1  0.005  0.647  0.500  1.0
  Ag  Ag5  1  0.505  0.353  0.000  1.0
  P  P6  1  0.501  0.313  0.500  1.0
  P  P7  1  0.001  0.687  0.000  1.0
  S  S8  1  0.378  0.160  0.721  1.0
  S  S9  1  0.378  0.160  0.279  1.0
  S  S10  1  0.878  0.840  0.779  1.0
  S  S11  1  0.878  0.840  0.221  1.0
  S  S12  1  0.837  0.280  0.500  1.0
  S  S13  1  0.337  0.720  0.000  1.0
  S  S14  1  0.411  0.632  0.500  1.0
  S  S15  1  0.911  0.368  0.000  1.0
[/CIF]
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The crystal structure described by AgCu2PS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Ag(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form AgS4 tetrahedra that share corners with four equivalent P(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent P(1)S4 tetrahedra. P(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form PS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1), two equivalent Cu(1), and one P(1) atom to form corner-sharing SCu2AgP tetrahedra. In the second S site, S(2) is bonded to one Ag(1), two equivalent Cu(1), and one P(1) atom to form corner-sharing SCu2AgP trigonal pyramids. In the third S site, S(3) is bonded to one Ag(1), two equivalent Cu(1), and one P(1) atom to form corner-sharing SCu2AgP tetrahedra. is represented by the CIF card [CIF]
data_Cu2AgPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.205
_cell_length_b   6.322
_cell_length_c   7.662
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.537
_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
  Cu  Cu0  1  0.010  0.185  0.753  1.0
  Cu  Cu1  1  0.010  0.185  0.247  1.0
  Cu  Cu2  1  0.510  0.815  0.747  1.0
  Cu  Cu3  1  0.510  0.815  0.253  1.0
  Ag  Ag4  1  0.005  0.647  0.500  1.0
  Ag  Ag5  1  0.505  0.353  0.000  1.0
  P  P6  1  0.501  0.313  0.500  1.0
  P  P7  1  0.001  0.687  0.000  1.0
  S  S8  1  0.378  0.160  0.721  1.0
  S  S9  1  0.378  0.160  0.279  1.0
  S  S10  1  0.878  0.840  0.779  1.0
  S  S11  1  0.878  0.840  0.221  1.0
  S  S12  1  0.837  0.280  0.500  1.0
  S  S13  1  0.337  0.720  0.000  1.0
  S  S14  1  0.411  0.632  0.500  1.0
  S  S15  1  0.911  0.368  0.000  1.0
[/CIF]
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