The material described by K6Mg(SbS4)2 crystallizes in the monoclinic Cm space group. There are four inequivalent K sites. In the first K site, K(1) is bonded to one S(1), one S(2), one S(4), and two equivalent S(6) atoms to form distorted KS5 trigonal bipyramids that share  a cornercorner with one Mg(1)S4 tetrahedra and edges with two equivalent Sb(1)S4 tetrahedra. In the second K site, K(2) is bonded in a 2-coordinate geometry to one S(2), one S(3), and two equivalent S(5) atoms. In the third K site, K(3) is bonded in a 4-coordinate geometry to one S(2), one S(3), one S(5), and two equivalent S(6) atoms. In the fourth K site, K(4) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(4), and two equivalent S(5) atoms. Mg(1) is bonded to one S(3), one S(4), and two equivalent S(5) atoms to form MgS4 tetrahedra that share  a cornercorner with one Sb(1)S4 tetrahedra and  a cornercorner with one K(1)S5 trigonal bipyramid. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one S(2), one S(4), and two equivalent S(6) atoms to form SbS4 tetrahedra that share  a cornercorner with one Mg(1)S4 tetrahedra and edges with two equivalent K(1)S5 trigonal bipyramids. In the second Sb site, Sb(2) is bonded in a distorted trigonal non-coplanar geometry to one S(1) and two equivalent S(5) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(4), and one Sb(2) atom. In the second S site, S(2) is bonded to one K(1), one K(2), two equivalent K(3), and one Sb(1) atom to form distorted edge-sharing SK4Sb trigonal bipyramids. In the third S site, S(3) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(3), and one Mg(1) atom. In the fourth S site, S(4) is bonded to one K(1), two equivalent K(4), one Mg(1), and one Sb(1) atom to form distorted edge-sharing SK3MgSb trigonal bipyramids. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(4), one Mg(1), and one Sb(2) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one K(1), two equivalent K(3), and one Sb(1) atom. is represented by the CIF card [CIF]
data_K6Mg(SbS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.971
_cell_length_b   8.357
_cell_length_c   8.357
_cell_angle_alpha   93.449
_cell_angle_beta   95.483
_cell_angle_gamma   84.517
_symmetry_Int_Tables_number   1
_cell_volume   550.834
_cell_formula_units_Z   1
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  0.017  0.301  0.699  1.0
  K  K1  1  0.530  0.666  0.334  1.0
  K  K2  1  0.435  0.210  0.306  1.0
  K  K3  1  0.964  0.812  0.708  1.0
  K  K4  1  0.435  0.694  0.790  1.0
  K  K5  1  0.964  0.292  0.188  1.0
  Mg  Mg6  1  0.680  0.911  0.089  1.0
  Sb  Sb7  1  0.511  0.228  0.772  1.0
  Sb  Sb8  1  0.057  0.759  0.241  1.0
  S  S9  1  0.113  0.554  0.446  1.0
  S  S10  1  0.626  0.399  0.601  1.0
  S  S11  1  0.385  0.912  0.088  1.0
  S  S12  1  0.769  0.100  0.900  1.0
  S  S13  1  0.844  0.964  0.357  1.0
  S  S14  1  0.348  0.045  0.615  1.0
  S  S15  1  0.844  0.643  0.036  1.0
  S  S16  1  0.348  0.385  0.955  1.0
[/CIF]
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The material described by K6Mg(SbS4)2 crystallizes in the monoclinic Cm space group. There are four inequivalent K sites. In the first K site, K(1) is bonded to one S(1), one S(2), one S(4), and two equivalent S(6) atoms to form distorted KS5 trigonal bipyramids that share  a cornercorner with one Mg(1)S4 tetrahedra and edges with two equivalent Sb(1)S4 tetrahedra. In the second K site, K(2) is bonded in a 2-coordinate geometry to one S(2), one S(3), and two equivalent S(5) atoms. In the third K site, K(3) is bonded in a 4-coordinate geometry to one S(2), one S(3), one S(5), and two equivalent S(6) atoms. In the fourth K site, K(4) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(4), and two equivalent S(5) atoms. Mg(1) is bonded to one S(3), one S(4), and two equivalent S(5) atoms to form MgS4 tetrahedra that share  a cornercorner with one Sb(1)S4 tetrahedra and  a cornercorner with one K(1)S5 trigonal bipyramid. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one S(2), one S(4), and two equivalent S(6) atoms to form SbS4 tetrahedra that share  a cornercorner with one Mg(1)S4 tetrahedra and edges with two equivalent K(1)S5 trigonal bipyramids. In the second Sb site, Sb(2) is bonded in a distorted trigonal non-coplanar geometry to one S(1) and two equivalent S(5) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(4), and one Sb(2) atom. In the second S site, S(2) is bonded to one K(1), one K(2), two equivalent K(3), and one Sb(1) atom to form distorted edge-sharing SK4Sb trigonal bipyramids. In the third S site, S(3) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(3), and one Mg(1) atom. In the fourth S site, S(4) is bonded to one K(1), two equivalent K(4), one Mg(1), and one Sb(1) atom to form distorted edge-sharing SK3MgSb trigonal bipyramids. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(4), one Mg(1), and one Sb(2) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one K(1), two equivalent K(3), and one Sb(1) atom. is represented by the CIF card [CIF]
data_K6Mg(SbS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.971
_cell_length_b   8.357
_cell_length_c   8.357
_cell_angle_alpha   93.449
_cell_angle_beta   95.483
_cell_angle_gamma   84.517
_symmetry_Int_Tables_number   1
_cell_volume   550.834
_cell_formula_units_Z   1
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  0.017  0.301  0.699  1.0
  K  K1  1  0.530  0.666  0.334  1.0
  K  K2  1  0.435  0.210  0.306  1.0
  K  K3  1  0.964  0.812  0.708  1.0
  K  K4  1  0.435  0.694  0.790  1.0
  K  K5  1  0.964  0.292  0.188  1.0
  Mg  Mg6  1  0.680  0.911  0.089  1.0
  Sb  Sb7  1  0.511  0.228  0.772  1.0
  Sb  Sb8  1  0.057  0.759  0.241  1.0
  S  S9  1  0.113  0.554  0.446  1.0
  S  S10  1  0.626  0.399  0.601  1.0
  S  S11  1  0.385  0.912  0.088  1.0
  S  S12  1  0.769  0.100  0.900  1.0
  S  S13  1  0.844  0.964  0.357  1.0
  S  S14  1  0.348  0.045  0.615  1.0
  S  S15  1  0.844  0.643  0.036  1.0
  S  S16  1  0.348  0.385  0.955  1.0
[/CIF]
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