The material structure described by K3Gd(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 distorted body-centered cubic geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second K site, K(2) is bonded in a square co-planar geometry to four equivalent S(1) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(4) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(4), and four equivalent S(3) 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 in a 4-coordinate geometry to one K(3), two equivalent Gd(1), and one As(1) atom. In the second S site, S(4) is bonded in a 4-coordinate geometry to two equivalent K(3), one Gd(1), and one As(1) atom. In the third S site, S(1) is bonded to two equivalent K(1), two equivalent K(2), and one As(1) atom to form SK4As square pyramids that share corners with four equivalent S(2)K3GdAs square pyramids, corners with four equivalent S(1)K4As square pyramids,  an edgeedge with one S(2)K3GdAs square pyramid, edges with four equivalent S(1)K4As square pyramids, and  a faceface with one S(2)K3GdAs square pyramid. In the fourth S site, S(2) is bonded to one K(3), two equivalent K(1), one Gd(1), and one As(1) atom to form distorted SK3GdAs square pyramids that share corners with two equivalent S(2)K3GdAs square pyramids, corners with four equivalent S(1)K4As square pyramids,  an edgeedge with one S(1)K4As square pyramid, edges with three equivalent S(2)K3GdAs square pyramids, and  a faceface with one S(1)K4As square pyramid. is represented by the CIF card [CIF]
data_K3Gd(AsS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.009
_cell_length_b   10.207
_cell_length_c   10.901
_cell_angle_alpha   107.458
_cell_angle_beta   102.868
_cell_angle_gamma   114.010
_symmetry_Int_Tables_number   1
_cell_volume   802.196
_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  0.255  0.005  0.010  1.0
  K  K1  1  0.745  0.995  0.990  1.0
  K  K2  1  0.000  0.500  0.000  1.0
  K  K3  1  0.500  0.500  0.000  1.0
  K  K4  1  0.488  0.738  0.476  1.0
  K  K5  1  0.512  0.262  0.524  1.0
  Gd  Gd6  1  0.007  0.757  0.514  1.0
  Gd  Gd7  1  0.993  0.243  0.486  1.0
  As  As8  1  0.741  0.343  0.248  1.0
  As  As9  1  0.007  0.905  0.248  1.0
  As  As10  1  0.259  0.657  0.752  1.0
  As  As11  1  0.993  0.095  0.752  1.0
  S  S12  1  0.638  0.265  0.025  1.0
  S  S13  1  0.887  0.759  0.025  1.0
  S  S14  1  0.362  0.735  0.975  1.0
  S  S15  1  0.113  0.241  0.975  1.0
  S  S16  1  0.344  0.867  0.709  1.0
  S  S17  1  0.864  0.841  0.709  1.0
  S  S18  1  0.656  0.133  0.291  1.0
  S  S19  1  0.136  0.159  0.291  1.0
  S  S20  1  0.968  0.527  0.653  1.0
  S  S21  1  0.185  0.125  0.653  1.0
  S  S22  1  0.032  0.473  0.347  1.0
  S  S23  1  0.815  0.875  0.347  1.0
  S  S24  1  0.203  0.857  0.356  1.0
  S  S25  1  0.653  0.499  0.356  1.0
  S  S26  1  0.797  0.143  0.644  1.0
  S  S27  1  0.347  0.501  0.644  1.0
[/CIF]
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The material structure described by K3Gd(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 distorted body-centered cubic geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second K site, K(2) is bonded in a square co-planar geometry to four equivalent S(1) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(4) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(4), and four equivalent S(3) 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 in a 4-coordinate geometry to one K(3), two equivalent Gd(1), and one As(1) atom. In the second S site, S(4) is bonded in a 4-coordinate geometry to two equivalent K(3), one Gd(1), and one As(1) atom. In the third S site, S(1) is bonded to two equivalent K(1), two equivalent K(2), and one As(1) atom to form SK4As square pyramids that share corners with four equivalent S(2)K3GdAs square pyramids, corners with four equivalent S(1)K4As square pyramids,  an edgeedge with one S(2)K3GdAs square pyramid, edges with four equivalent S(1)K4As square pyramids, and  a faceface with one S(2)K3GdAs square pyramid. In the fourth S site, S(2) is bonded to one K(3), two equivalent K(1), one Gd(1), and one As(1) atom to form distorted SK3GdAs square pyramids that share corners with two equivalent S(2)K3GdAs square pyramids, corners with four equivalent S(1)K4As square pyramids,  an edgeedge with one S(1)K4As square pyramid, edges with three equivalent S(2)K3GdAs square pyramids, and  a faceface with one S(1)K4As square pyramid. is represented by the CIF card [CIF]
data_K3Gd(AsS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.009
_cell_length_b   10.207
_cell_length_c   10.901
_cell_angle_alpha   107.458
_cell_angle_beta   102.868
_cell_angle_gamma   114.010
_symmetry_Int_Tables_number   1
_cell_volume   802.196
_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  0.255  0.005  0.010  1.0
  K  K1  1  0.745  0.995  0.990  1.0
  K  K2  1  0.000  0.500  0.000  1.0
  K  K3  1  0.500  0.500  0.000  1.0
  K  K4  1  0.488  0.738  0.476  1.0
  K  K5  1  0.512  0.262  0.524  1.0
  Gd  Gd6  1  0.007  0.757  0.514  1.0
  Gd  Gd7  1  0.993  0.243  0.486  1.0
  As  As8  1  0.741  0.343  0.248  1.0
  As  As9  1  0.007  0.905  0.248  1.0
  As  As10  1  0.259  0.657  0.752  1.0
  As  As11  1  0.993  0.095  0.752  1.0
  S  S12  1  0.638  0.265  0.025  1.0
  S  S13  1  0.887  0.759  0.025  1.0
  S  S14  1  0.362  0.735  0.975  1.0
  S  S15  1  0.113  0.241  0.975  1.0
  S  S16  1  0.344  0.867  0.709  1.0
  S  S17  1  0.864  0.841  0.709  1.0
  S  S18  1  0.656  0.133  0.291  1.0
  S  S19  1  0.136  0.159  0.291  1.0
  S  S20  1  0.968  0.527  0.653  1.0
  S  S21  1  0.185  0.125  0.653  1.0
  S  S22  1  0.032  0.473  0.347  1.0
  S  S23  1  0.815  0.875  0.347  1.0
  S  S24  1  0.203  0.857  0.356  1.0
  S  S25  1  0.653  0.499  0.356  1.0
  S  S26  1  0.797  0.143  0.644  1.0
  S  S27  1  0.347  0.501  0.644  1.0
[/CIF]
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