The compound described by K3SnSb3 crystallizes in the triclinic P-1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent K(4), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent K(3), two equivalent Sn(1), and two equivalent Sb(3) atoms. In the third K site, K(3) is bonded in a 1-coordinate geometry to one K(2), one Sn(1), one Sb(1), and three equivalent Sb(3) atoms. In the fourth K site, K(4) is bonded in a 1-coordinate geometry to one K(1), one Sn(1), and three equivalent Sb(2) atoms. Sn(1) is bonded in a 6-coordinate geometry to one K(2), one K(3), one K(4), one Sb(1), one Sb(2), and one Sb(3) atom. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 1-coordinate geometry to one K(1), one K(3), one Sn(1), one Sb(2), and one Sb(3) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one K(1), three equivalent K(4), one Sn(1), and one Sb(1) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one K(2), three equivalent K(3), one Sn(1), and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3SnSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.269
_cell_length_b   7.568
_cell_length_c   15.558
_cell_angle_alpha   103.745
_cell_angle_beta   90.219
_cell_angle_gamma   108.231
_symmetry_Int_Tables_number   1
_cell_volume   570.283
_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  0.000  0.000  0.000  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  K  K2  1  0.248  0.181  0.371  1.0
  K  K3  1  0.250  0.697  0.867  1.0
  K  K4  1  0.750  0.303  0.133  1.0
  K  K5  1  0.752  0.819  0.629  1.0
  Sn  Sn6  1  0.247  0.400  0.720  1.0
  Sn  Sn7  1  0.753  0.600  0.280  1.0
  Sb  Sb8  1  0.242  0.881  0.220  1.0
  Sb  Sb9  1  0.400  0.668  0.115  1.0
  Sb  Sb10  1  0.408  0.174  0.618  1.0
  Sb  Sb11  1  0.592  0.826  0.382  1.0
  Sb  Sb12  1  0.600  0.332  0.885  1.0
  Sb  Sb13  1  0.758  0.119  0.780  1.0
[/CIF]
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The compound described by K3SnSb3 crystallizes in the triclinic P-1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent K(4), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent K(3), two equivalent Sn(1), and two equivalent Sb(3) atoms. In the third K site, K(3) is bonded in a 1-coordinate geometry to one K(2), one Sn(1), one Sb(1), and three equivalent Sb(3) atoms. In the fourth K site, K(4) is bonded in a 1-coordinate geometry to one K(1), one Sn(1), and three equivalent Sb(2) atoms. Sn(1) is bonded in a 6-coordinate geometry to one K(2), one K(3), one K(4), one Sb(1), one Sb(2), and one Sb(3) atom. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 1-coordinate geometry to one K(1), one K(3), one Sn(1), one Sb(2), and one Sb(3) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one K(1), three equivalent K(4), one Sn(1), and one Sb(1) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one K(2), three equivalent K(3), one Sn(1), and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3SnSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.269
_cell_length_b   7.568
_cell_length_c   15.558
_cell_angle_alpha   103.745
_cell_angle_beta   90.219
_cell_angle_gamma   108.231
_symmetry_Int_Tables_number   1
_cell_volume   570.283
_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  0.000  0.000  0.000  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  K  K2  1  0.248  0.181  0.371  1.0
  K  K3  1  0.250  0.697  0.867  1.0
  K  K4  1  0.750  0.303  0.133  1.0
  K  K5  1  0.752  0.819  0.629  1.0
  Sn  Sn6  1  0.247  0.400  0.720  1.0
  Sn  Sn7  1  0.753  0.600  0.280  1.0
  Sb  Sb8  1  0.242  0.881  0.220  1.0
  Sb  Sb9  1  0.400  0.668  0.115  1.0
  Sb  Sb10  1  0.408  0.174  0.618  1.0
  Sb  Sb11  1  0.592  0.826  0.382  1.0
  Sb  Sb12  1  0.600  0.332  0.885  1.0
  Sb  Sb13  1  0.758  0.119  0.780  1.0
[/CIF]
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