The material structure described by KAuP2S7 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. Au(1) is bonded in a square co-planar geometry to two equivalent S(2) and two equivalent S(3) atoms. P(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form corner-sharing PS4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one P(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one K(1), one Au(1), and one P(1) atom. In the third S site, S(3) is bonded in an L-shaped geometry to one Au(1) and one P(1) atom. In the fourth S site, S(4) is bonded in a water-like geometry to two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_KP2AuS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.321
_cell_length_b   6.321
_cell_length_c   15.263
_cell_angle_alpha   89.924
_cell_angle_beta   89.924
_cell_angle_gamma   100.609
_symmetry_Int_Tables_number   1
_cell_volume   599.422
_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
  K  K0  1  0.757  0.243  0.250  1.0
  K  K1  1  0.243  0.757  0.750  1.0
  P  P2  1  0.351  0.679  0.140  1.0
  P  P3  1  0.321  0.649  0.360  1.0
  P  P4  1  0.649  0.321  0.860  1.0
  P  P5  1  0.679  0.351  0.640  1.0
  Au  Au6  1  0.000  0.500  0.000  1.0
  Au  Au7  1  0.500  0.000  0.500  1.0
  S  S8  1  0.664  0.725  0.156  1.0
  S  S9  1  0.336  0.275  0.844  1.0
  S  S10  1  0.275  0.336  0.344  1.0
  S  S11  1  0.725  0.664  0.656  1.0
  S  S12  1  0.200  0.364  0.113  1.0
  S  S13  1  0.636  0.800  0.387  1.0
  S  S14  1  0.800  0.636  0.887  1.0
  S  S15  1  0.364  0.200  0.613  1.0
  S  S16  1  0.230  0.831  0.036  1.0
  S  S17  1  0.169  0.770  0.464  1.0
  S  S18  1  0.770  0.169  0.964  1.0
  S  S19  1  0.831  0.230  0.536  1.0
  S  S20  1  0.197  0.803  0.250  1.0
  S  S21  1  0.803  0.197  0.750  1.0
[/CIF]
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The material structure described by KAuP2S7 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. Au(1) is bonded in a square co-planar geometry to two equivalent S(2) and two equivalent S(3) atoms. P(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form corner-sharing PS4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one P(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one K(1), one Au(1), and one P(1) atom. In the third S site, S(3) is bonded in an L-shaped geometry to one Au(1) and one P(1) atom. In the fourth S site, S(4) is bonded in a water-like geometry to two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_KP2AuS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.321
_cell_length_b   6.321
_cell_length_c   15.263
_cell_angle_alpha   89.924
_cell_angle_beta   89.924
_cell_angle_gamma   100.609
_symmetry_Int_Tables_number   1
_cell_volume   599.422
_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
  K  K0  1  0.757  0.243  0.250  1.0
  K  K1  1  0.243  0.757  0.750  1.0
  P  P2  1  0.351  0.679  0.140  1.0
  P  P3  1  0.321  0.649  0.360  1.0
  P  P4  1  0.649  0.321  0.860  1.0
  P  P5  1  0.679  0.351  0.640  1.0
  Au  Au6  1  0.000  0.500  0.000  1.0
  Au  Au7  1  0.500  0.000  0.500  1.0
  S  S8  1  0.664  0.725  0.156  1.0
  S  S9  1  0.336  0.275  0.844  1.0
  S  S10  1  0.275  0.336  0.344  1.0
  S  S11  1  0.725  0.664  0.656  1.0
  S  S12  1  0.200  0.364  0.113  1.0
  S  S13  1  0.636  0.800  0.387  1.0
  S  S14  1  0.800  0.636  0.887  1.0
  S  S15  1  0.364  0.200  0.613  1.0
  S  S16  1  0.230  0.831  0.036  1.0
  S  S17  1  0.169  0.770  0.464  1.0
  S  S18  1  0.770  0.169  0.964  1.0
  S  S19  1  0.831  0.230  0.536  1.0
  S  S20  1  0.197  0.803  0.250  1.0
  S  S21  1  0.803  0.197  0.750  1.0
[/CIF]
.