The structure described by K3MgSbS4 crystallizes in the tetragonal I-4 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent S(1) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with four equivalent Sb(1)S4 tetrahedra. Sb(1) is bonded to four equivalent S(1) atoms to form distorted SbS4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra. S(1) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Mg(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_K3MgSbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.422
_cell_length_b   7.422
_cell_length_c   7.422
_cell_angle_alpha   121.093
_cell_angle_beta   88.118
_cell_angle_gamma   121.093
_symmetry_Int_Tables_number   1
_cell_volume   284.151
_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  0.091  0.500  0.591  1.0
  K  K1  1  0.500  0.000  0.500  1.0
  K  K2  1  0.409  0.500  0.909  1.0
  Mg  Mg3  1  0.750  0.500  0.250  1.0
  Sb  Sb4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.046  0.907  0.608  1.0
  S  S6  1  0.861  0.562  0.954  1.0
  S  S7  1  0.701  0.093  0.139  1.0
  S  S8  1  0.392  0.438  0.299  1.0
[/CIF]
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The structure described by K3MgSbS4 crystallizes in the tetragonal I-4 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent S(1) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with four equivalent Sb(1)S4 tetrahedra. Sb(1) is bonded to four equivalent S(1) atoms to form distorted SbS4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra. S(1) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Mg(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_K3MgSbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.422
_cell_length_b   7.422
_cell_length_c   7.422
_cell_angle_alpha   121.093
_cell_angle_beta   88.118
_cell_angle_gamma   121.093
_symmetry_Int_Tables_number   1
_cell_volume   284.151
_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  0.091  0.500  0.591  1.0
  K  K1  1  0.500  0.000  0.500  1.0
  K  K2  1  0.409  0.500  0.909  1.0
  Mg  Mg3  1  0.750  0.500  0.250  1.0
  Sb  Sb4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.046  0.907  0.608  1.0
  S  S6  1  0.861  0.562  0.954  1.0
  S  S7  1  0.701  0.093  0.139  1.0
  S  S8  1  0.392  0.438  0.299  1.0
[/CIF]
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