The material structure described by K3AsS4 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. As(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one K(3), two equivalent K(1), two equivalent K(2), and one As(1) atom to form edge-sharing SK5As octahedra. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), two equivalent K(3), and one As(1) atom. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one As(1) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), two equivalent K(3), and one As(1) atom. is represented by the CIF file [CIF]
data_K3AsS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.137
_cell_length_b   9.371
_cell_length_c   10.624
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   909.649
_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
  K  K0  1  0.941  0.700  0.007  1.0
  K  K1  1  0.059  0.300  0.507  1.0
  K  K2  1  0.559  0.200  0.507  1.0
  K  K3  1  0.441  0.800  0.007  1.0
  K  K4  1  0.941  0.702  0.419  1.0
  K  K5  1  0.059  0.298  0.919  1.0
  K  K6  1  0.559  0.202  0.919  1.0
  K  K7  1  0.441  0.798  0.419  1.0
  K  K8  1  0.640  0.421  0.215  1.0
  K  K9  1  0.360  0.579  0.715  1.0
  K  K10  1  0.860  0.921  0.715  1.0
  K  K11  1  0.140  0.079  0.215  1.0
  As  As12  1  0.721  0.980  0.213  1.0
  As  As13  1  0.279  0.020  0.713  1.0
  As  As14  1  0.779  0.480  0.713  1.0
  As  As15  1  0.221  0.520  0.213  1.0
  S  S16  1  0.687  0.751  0.213  1.0
  S  S17  1  0.313  0.249  0.713  1.0
  S  S18  1  0.813  0.251  0.713  1.0
  S  S19  1  0.187  0.749  0.213  1.0
  S  S20  1  0.841  0.036  0.044  1.0
  S  S21  1  0.159  0.964  0.544  1.0
  S  S22  1  0.659  0.536  0.544  1.0
  S  S23  1  0.341  0.464  0.044  1.0
  S  S24  1  0.509  0.088  0.212  1.0
  S  S25  1  0.491  0.912  0.712  1.0
  S  S26  1  0.991  0.588  0.712  1.0
  S  S27  1  0.009  0.412  0.212  1.0
  S  S28  1  0.840  0.037  0.382  1.0
  S  S29  1  0.160  0.963  0.882  1.0
  S  S30  1  0.660  0.537  0.882  1.0
  S  S31  1  0.340  0.463  0.382  1.0
[/CIF]
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The material structure described by K3AsS4 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. As(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one K(3), two equivalent K(1), two equivalent K(2), and one As(1) atom to form edge-sharing SK5As octahedra. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), two equivalent K(3), and one As(1) atom. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one As(1) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), two equivalent K(3), and one As(1) atom. is represented by the CIF file [CIF]
data_K3AsS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.137
_cell_length_b   9.371
_cell_length_c   10.624
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   909.649
_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
  K  K0  1  0.941  0.700  0.007  1.0
  K  K1  1  0.059  0.300  0.507  1.0
  K  K2  1  0.559  0.200  0.507  1.0
  K  K3  1  0.441  0.800  0.007  1.0
  K  K4  1  0.941  0.702  0.419  1.0
  K  K5  1  0.059  0.298  0.919  1.0
  K  K6  1  0.559  0.202  0.919  1.0
  K  K7  1  0.441  0.798  0.419  1.0
  K  K8  1  0.640  0.421  0.215  1.0
  K  K9  1  0.360  0.579  0.715  1.0
  K  K10  1  0.860  0.921  0.715  1.0
  K  K11  1  0.140  0.079  0.215  1.0
  As  As12  1  0.721  0.980  0.213  1.0
  As  As13  1  0.279  0.020  0.713  1.0
  As  As14  1  0.779  0.480  0.713  1.0
  As  As15  1  0.221  0.520  0.213  1.0
  S  S16  1  0.687  0.751  0.213  1.0
  S  S17  1  0.313  0.249  0.713  1.0
  S  S18  1  0.813  0.251  0.713  1.0
  S  S19  1  0.187  0.749  0.213  1.0
  S  S20  1  0.841  0.036  0.044  1.0
  S  S21  1  0.159  0.964  0.544  1.0
  S  S22  1  0.659  0.536  0.544  1.0
  S  S23  1  0.341  0.464  0.044  1.0
  S  S24  1  0.509  0.088  0.212  1.0
  S  S25  1  0.491  0.912  0.712  1.0
  S  S26  1  0.991  0.588  0.712  1.0
  S  S27  1  0.009  0.412  0.212  1.0
  S  S28  1  0.840  0.037  0.382  1.0
  S  S29  1  0.160  0.963  0.882  1.0
  S  S30  1  0.660  0.537  0.882  1.0
  S  S31  1  0.340  0.463  0.382  1.0
[/CIF]
.