The structure described by K4Ba2SnSb4 crystallizes in the monoclinic Cc space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Sn(1), one Sb(1), one Sb(2), one Sb(4), and two equivalent Sb(3) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to one Sb(3), one Sb(4), and two equivalent Sb(2) atoms. In the third K site, K(3) is bonded in a 4-coordinate geometry to one Sb(3), one Sb(4), and two equivalent Sb(1) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), and one Sb(4) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one Sn(1), one Sb(1), one Sb(2), one Sb(4), and two equivalent Sb(3) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Sn(1), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(4) atoms. Sn(1) is bonded in a 7-coordinate geometry to one K(1), one Ba(1), one Ba(2), one Sb(1), one Sb(2), one Sb(3), and one Sb(4) atom. There are four inequivalent Sb sites. In the first Sb site, Sb(4) is bonded in a 7-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one Ba(1), two equivalent Ba(2), and one Sn(1) atom. In the second Sb site, Sb(1) is bonded in a 8-coordinate geometry to one K(1), one K(4), two equivalent K(3), one Ba(1), two equivalent Ba(2), and one Sn(1) atom. In the third Sb site, Sb(2) is bonded in a 8-coordinate geometry to one K(1), one K(4), two equivalent K(2), one Ba(1), two equivalent Ba(2), and one Sn(1) atom. In the fourth Sb site, Sb(3) is bonded in a 8-coordinate geometry to one K(2), one K(3), one K(4), two equivalent K(1), two equivalent Ba(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_K4Ba2SnSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.256
_cell_length_b   11.256
_cell_length_c   8.384
_cell_angle_alpha   89.368
_cell_angle_beta   89.368
_cell_angle_gamma   119.445
_symmetry_Int_Tables_number   1
_cell_volume   924.841
_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  0.043  0.521  0.622  1.0
  K  K1  1  0.521  0.043  0.122  1.0
  K  K2  1  0.288  0.142  0.819  1.0
  K  K3  1  0.860  0.710  0.807  1.0
  K  K4  1  0.857  0.149  0.813  1.0
  K  K5  1  0.710  0.860  0.307  1.0
  K  K6  1  0.142  0.288  0.319  1.0
  K  K7  1  0.149  0.857  0.313  1.0
  Ba  Ba8  1  0.477  0.956  0.624  1.0
  Ba  Ba9  1  0.476  0.520  0.624  1.0
  Ba  Ba10  1  0.956  0.477  0.124  1.0
  Ba  Ba11  1  0.520  0.476  0.124  1.0
  Sn  Sn12  1  0.670  0.335  0.502  1.0
  Sn  Sn13  1  0.335  0.670  0.002  1.0
  Sb  Sb14  1  0.613  0.802  0.886  1.0
  Sb  Sb15  1  0.198  0.389  0.904  1.0
  Sb  Sb16  1  0.192  0.804  0.896  1.0
  Sb  Sb17  1  0.389  0.198  0.404  1.0
  Sb  Sb18  1  0.802  0.613  0.386  1.0
  Sb  Sb19  1  0.804  0.192  0.396  1.0
  Sb  Sb20  1  0.663  0.337  0.847  1.0
  Sb  Sb21  1  0.337  0.663  0.347  1.0
[/CIF]
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The structure described by K4Ba2SnSb4 crystallizes in the monoclinic Cc space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Sn(1), one Sb(1), one Sb(2), one Sb(4), and two equivalent Sb(3) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to one Sb(3), one Sb(4), and two equivalent Sb(2) atoms. In the third K site, K(3) is bonded in a 4-coordinate geometry to one Sb(3), one Sb(4), and two equivalent Sb(1) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), and one Sb(4) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one Sn(1), one Sb(1), one Sb(2), one Sb(4), and two equivalent Sb(3) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Sn(1), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(4) atoms. Sn(1) is bonded in a 7-coordinate geometry to one K(1), one Ba(1), one Ba(2), one Sb(1), one Sb(2), one Sb(3), and one Sb(4) atom. There are four inequivalent Sb sites. In the first Sb site, Sb(4) is bonded in a 7-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one Ba(1), two equivalent Ba(2), and one Sn(1) atom. In the second Sb site, Sb(1) is bonded in a 8-coordinate geometry to one K(1), one K(4), two equivalent K(3), one Ba(1), two equivalent Ba(2), and one Sn(1) atom. In the third Sb site, Sb(2) is bonded in a 8-coordinate geometry to one K(1), one K(4), two equivalent K(2), one Ba(1), two equivalent Ba(2), and one Sn(1) atom. In the fourth Sb site, Sb(3) is bonded in a 8-coordinate geometry to one K(2), one K(3), one K(4), two equivalent K(1), two equivalent Ba(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_K4Ba2SnSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.256
_cell_length_b   11.256
_cell_length_c   8.384
_cell_angle_alpha   89.368
_cell_angle_beta   89.368
_cell_angle_gamma   119.445
_symmetry_Int_Tables_number   1
_cell_volume   924.841
_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  0.043  0.521  0.622  1.0
  K  K1  1  0.521  0.043  0.122  1.0
  K  K2  1  0.288  0.142  0.819  1.0
  K  K3  1  0.860  0.710  0.807  1.0
  K  K4  1  0.857  0.149  0.813  1.0
  K  K5  1  0.710  0.860  0.307  1.0
  K  K6  1  0.142  0.288  0.319  1.0
  K  K7  1  0.149  0.857  0.313  1.0
  Ba  Ba8  1  0.477  0.956  0.624  1.0
  Ba  Ba9  1  0.476  0.520  0.624  1.0
  Ba  Ba10  1  0.956  0.477  0.124  1.0
  Ba  Ba11  1  0.520  0.476  0.124  1.0
  Sn  Sn12  1  0.670  0.335  0.502  1.0
  Sn  Sn13  1  0.335  0.670  0.002  1.0
  Sb  Sb14  1  0.613  0.802  0.886  1.0
  Sb  Sb15  1  0.198  0.389  0.904  1.0
  Sb  Sb16  1  0.192  0.804  0.896  1.0
  Sb  Sb17  1  0.389  0.198  0.404  1.0
  Sb  Sb18  1  0.802  0.613  0.386  1.0
  Sb  Sb19  1  0.804  0.192  0.396  1.0
  Sb  Sb20  1  0.663  0.337  0.847  1.0
  Sb  Sb21  1  0.337  0.663  0.347  1.0
[/CIF]
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