The material described by AgZnPS4 crystallizes in the orthorhombic Pna2_1 space group. Ag(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form AgS4 tetrahedra that share corners with four equivalent Zn(1)S4 tetrahedra and corners with four equivalent P(1)S4 tetrahedra. Zn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form ZnS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra and corners with four equivalent P(1)S4 tetrahedra. P(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form PS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra and corners with four equivalent Zn(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Ag(1), one Zn(1), and one P(1) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Ag(1), one Zn(1), and one P(1) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Ag(1), one Zn(1), and one P(1) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Ag(1), one Zn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_ZnAgPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.180
_cell_length_b   7.665
_cell_length_c   12.731
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   603.071
_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
  Zn  Zn0  1  0.503  0.513  0.659  1.0
  Zn  Zn1  1  0.003  0.487  0.341  1.0
  Zn  Zn2  1  0.503  0.987  0.159  1.0
  Zn  Zn3  1  0.003  0.013  0.841  1.0
  Ag  Ag4  1  0.500  0.220  0.428  1.0
  Ag  Ag5  1  0.000  0.720  0.072  1.0
  Ag  Ag6  1  0.000  0.780  0.572  1.0
  Ag  Ag7  1  0.500  0.280  0.928  1.0
  P  P8  1  0.506  0.731  0.405  1.0
  P  P9  1  0.006  0.231  0.095  1.0
  P  P10  1  0.506  0.769  0.905  1.0
  P  P11  1  0.006  0.269  0.595  1.0
  S  S12  1  0.618  0.990  0.830  1.0
  S  S13  1  0.118  0.490  0.670  1.0
  S  S14  1  0.172  0.749  0.887  1.0
  S  S15  1  0.172  0.751  0.387  1.0
  S  S16  1  0.643  0.553  0.833  1.0
  S  S17  1  0.643  0.947  0.333  1.0
  S  S18  1  0.587  0.766  0.562  1.0
  S  S19  1  0.118  0.010  0.170  1.0
  S  S20  1  0.587  0.734  0.062  1.0
  S  S21  1  0.672  0.249  0.613  1.0
  S  S22  1  0.087  0.234  0.438  1.0
  S  S23  1  0.143  0.447  0.167  1.0
  S  S24  1  0.143  0.053  0.667  1.0
  S  S25  1  0.672  0.251  0.113  1.0
  S  S26  1  0.087  0.266  0.938  1.0
  S  S27  1  0.618  0.510  0.330  1.0
[/CIF]
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The material described by AgZnPS4 crystallizes in the orthorhombic Pna2_1 space group. Ag(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form AgS4 tetrahedra that share corners with four equivalent Zn(1)S4 tetrahedra and corners with four equivalent P(1)S4 tetrahedra. Zn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form ZnS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra and corners with four equivalent P(1)S4 tetrahedra. P(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form PS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra and corners with four equivalent Zn(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Ag(1), one Zn(1), and one P(1) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Ag(1), one Zn(1), and one P(1) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Ag(1), one Zn(1), and one P(1) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Ag(1), one Zn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_ZnAgPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.180
_cell_length_b   7.665
_cell_length_c   12.731
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   603.071
_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
  Zn  Zn0  1  0.503  0.513  0.659  1.0
  Zn  Zn1  1  0.003  0.487  0.341  1.0
  Zn  Zn2  1  0.503  0.987  0.159  1.0
  Zn  Zn3  1  0.003  0.013  0.841  1.0
  Ag  Ag4  1  0.500  0.220  0.428  1.0
  Ag  Ag5  1  0.000  0.720  0.072  1.0
  Ag  Ag6  1  0.000  0.780  0.572  1.0
  Ag  Ag7  1  0.500  0.280  0.928  1.0
  P  P8  1  0.506  0.731  0.405  1.0
  P  P9  1  0.006  0.231  0.095  1.0
  P  P10  1  0.506  0.769  0.905  1.0
  P  P11  1  0.006  0.269  0.595  1.0
  S  S12  1  0.618  0.990  0.830  1.0
  S  S13  1  0.118  0.490  0.670  1.0
  S  S14  1  0.172  0.749  0.887  1.0
  S  S15  1  0.172  0.751  0.387  1.0
  S  S16  1  0.643  0.553  0.833  1.0
  S  S17  1  0.643  0.947  0.333  1.0
  S  S18  1  0.587  0.766  0.562  1.0
  S  S19  1  0.118  0.010  0.170  1.0
  S  S20  1  0.587  0.734  0.062  1.0
  S  S21  1  0.672  0.249  0.613  1.0
  S  S22  1  0.087  0.234  0.438  1.0
  S  S23  1  0.143  0.447  0.167  1.0
  S  S24  1  0.143  0.053  0.667  1.0
  S  S25  1  0.672  0.251  0.113  1.0
  S  S26  1  0.087  0.266  0.938  1.0
  S  S27  1  0.618  0.510  0.330  1.0
[/CIF]
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