The crystal structure described by K3Dy(AsS4)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), and four equivalent S(4) atoms. In the second K site, K(2) is bonded in a distorted square co-planar geometry to two equivalent S(4) and four equivalent S(3) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to four equivalent S(2) and four equivalent S(3) atoms. Dy(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(4), and four equivalent S(1) 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(3) is bonded to two equivalent K(2), two equivalent K(3), and one As(1) atom to form a mixture of corner and edge-sharing SK4As square pyramids. In the second S site, S(4) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Dy(1), and one As(1) atom. In the third S site, S(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent Dy(1), and one As(1) atom. In the fourth S site, S(2) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(3), one Dy(1), and one As(1) atom. is represented by the CIF card [CIF]
data_K3Dy(AsS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.857
_cell_length_b   10.857
_cell_length_c   9.022
_cell_angle_alpha   76.940
_cell_angle_beta   76.940
_cell_angle_gamma   121.641
_symmetry_Int_Tables_number   1
_cell_volume   802.222
_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  0.262  0.738  0.750  1.0
  K  K1  1  0.738  0.262  0.250  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  K  K3  1  0.500  0.500  0.500  1.0
  K  K4  1  0.996  0.004  0.250  1.0
  K  K5  1  0.004  0.996  0.750  1.0
  Dy  Dy6  1  0.243  0.757  0.250  1.0
  Dy  Dy7  1  0.757  0.243  0.750  1.0
  As  As8  1  0.657  0.903  0.101  1.0
  As  As9  1  0.097  0.343  0.399  1.0
  As  As10  1  0.343  0.097  0.899  1.0
  As  As11  1  0.903  0.657  0.601  1.0
  S  S12  1  0.472  0.125  0.061  1.0
  S  S13  1  0.875  0.528  0.439  1.0
  S  S14  1  0.528  0.875  0.939  1.0
  S  S15  1  0.125  0.472  0.561  1.0
  S  S16  1  0.135  0.844  0.024  1.0
  S  S17  1  0.156  0.865  0.476  1.0
  S  S18  1  0.865  0.156  0.976  1.0
  S  S19  1  0.844  0.135  0.524  1.0
  S  S20  1  0.737  0.758  0.126  1.0
  S  S21  1  0.242  0.263  0.374  1.0
  S  S22  1  0.263  0.242  0.874  1.0
  S  S23  1  0.758  0.737  0.626  1.0
  S  S24  1  0.147  0.501  0.156  1.0
  S  S25  1  0.499  0.853  0.344  1.0
  S  S26  1  0.853  0.499  0.844  1.0
  S  S27  1  0.501  0.147  0.656  1.0
[/CIF]
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The crystal structure described by K3Dy(AsS4)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), and four equivalent S(4) atoms. In the second K site, K(2) is bonded in a distorted square co-planar geometry to two equivalent S(4) and four equivalent S(3) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to four equivalent S(2) and four equivalent S(3) atoms. Dy(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(4), and four equivalent S(1) 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(3) is bonded to two equivalent K(2), two equivalent K(3), and one As(1) atom to form a mixture of corner and edge-sharing SK4As square pyramids. In the second S site, S(4) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Dy(1), and one As(1) atom. In the third S site, S(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent Dy(1), and one As(1) atom. In the fourth S site, S(2) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(3), one Dy(1), and one As(1) atom. is represented by the CIF card [CIF]
data_K3Dy(AsS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.857
_cell_length_b   10.857
_cell_length_c   9.022
_cell_angle_alpha   76.940
_cell_angle_beta   76.940
_cell_angle_gamma   121.641
_symmetry_Int_Tables_number   1
_cell_volume   802.222
_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  0.262  0.738  0.750  1.0
  K  K1  1  0.738  0.262  0.250  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  K  K3  1  0.500  0.500  0.500  1.0
  K  K4  1  0.996  0.004  0.250  1.0
  K  K5  1  0.004  0.996  0.750  1.0
  Dy  Dy6  1  0.243  0.757  0.250  1.0
  Dy  Dy7  1  0.757  0.243  0.750  1.0
  As  As8  1  0.657  0.903  0.101  1.0
  As  As9  1  0.097  0.343  0.399  1.0
  As  As10  1  0.343  0.097  0.899  1.0
  As  As11  1  0.903  0.657  0.601  1.0
  S  S12  1  0.472  0.125  0.061  1.0
  S  S13  1  0.875  0.528  0.439  1.0
  S  S14  1  0.528  0.875  0.939  1.0
  S  S15  1  0.125  0.472  0.561  1.0
  S  S16  1  0.135  0.844  0.024  1.0
  S  S17  1  0.156  0.865  0.476  1.0
  S  S18  1  0.865  0.156  0.976  1.0
  S  S19  1  0.844  0.135  0.524  1.0
  S  S20  1  0.737  0.758  0.126  1.0
  S  S21  1  0.242  0.263  0.374  1.0
  S  S22  1  0.263  0.242  0.874  1.0
  S  S23  1  0.758  0.737  0.626  1.0
  S  S24  1  0.147  0.501  0.156  1.0
  S  S25  1  0.499  0.853  0.344  1.0
  S  S26  1  0.853  0.499  0.844  1.0
  S  S27  1  0.501  0.147  0.656  1.0
[/CIF]
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