The compound described by K4Ba2SnBi4 crystallizes in the monoclinic Cm space group. There are five inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Sn(1), one Bi(1), one Bi(2), one Bi(3), one Bi(4), and one Bi(6) atom. In the second K site, K(2) is bonded in a 4-coordinate geometry to one Bi(1), one Bi(2), one Bi(3), and one Bi(5) atom. In the third K site, K(3) is bonded in a 4-coordinate geometry to one Bi(4), one Bi(5), and two equivalent Bi(1) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to one Bi(1), one Bi(3), one Bi(4), and one Bi(6) atom. In the fifth K site, K(5) is bonded in a 4-coordinate geometry to one Bi(2), one Bi(6), and two equivalent Bi(3) atoms. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to one Sn(1), one Bi(6), two equivalent Bi(1), and two equivalent Bi(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one Sn(2), one Bi(1), one Bi(2), one Bi(3), one Bi(4), one Bi(5), and one Bi(6) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one Sn(2), one Bi(5), one Bi(6), two equivalent Bi(1), and two equivalent Bi(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to two equivalent K(1), one Ba(1), one Bi(4), one Bi(5), and two equivalent Bi(3) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to one Ba(3), two equivalent Ba(2), one Bi(2), one Bi(6), and two equivalent Bi(1) atoms. There are six inequivalent Bi sites. In the first Bi site, Bi(4) is bonded in a 8-coordinate geometry to one K(3), two equivalent K(1), two equivalent K(4), two equivalent Ba(2), and one Sn(1) atom. In the second Bi site, Bi(5) is bonded in a 7-coordinate geometry to one K(3), two equivalent K(2), one Ba(3), two equivalent Ba(2), and one Sn(1) atom. In the third Bi site, Bi(6) is bonded in a 10-coordinate geometry to one K(5), two equivalent K(1), two equivalent K(4), one Ba(1), one Ba(3), two equivalent Ba(2), and one Sn(2) atom. In the fourth Bi site, Bi(1) is bonded in a 8-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one Ba(1), one Ba(2), one Ba(3), and one Sn(2) atom. In the fifth Bi site, Bi(2) is bonded in a 8-coordinate geometry to one K(5), two equivalent K(1), two equivalent K(2), two equivalent Ba(2), and one Sn(2) atom. In the sixth Bi site, Bi(3) is bonded in a 8-coordinate geometry to one K(1), one K(2), one K(4), one K(5), one Ba(1), one Ba(2), one Ba(3), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4Ba2SnBi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.424
_cell_length_b   11.424
_cell_length_c   8.513
_cell_angle_alpha   89.051
_cell_angle_beta   89.051
_cell_angle_gamma   60.431
_symmetry_Int_Tables_number   1
_cell_volume   966.126
_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  0.954  0.523  0.372  1.0
  K  K1  1  0.523  0.954  0.372  1.0
  K  K2  1  0.709  0.139  0.188  1.0
  K  K3  1  0.139  0.709  0.188  1.0
  K  K4  1  0.150  0.150  0.205  1.0
  K  K5  1  0.288  0.858  0.676  1.0
  K  K6  1  0.858  0.288  0.676  1.0
  K  K7  1  0.852  0.852  0.650  1.0
  Ba  Ba8  1  0.523  0.523  0.371  1.0
  Ba  Ba9  1  0.037  0.484  0.873  1.0
  Ba  Ba10  1  0.484  0.037  0.873  1.0
  Ba  Ba11  1  0.483  0.483  0.870  1.0
  Sn  Sn12  1  0.333  0.333  0.493  1.0
  Sn  Sn13  1  0.665  0.665  0.998  1.0
  Bi  Bi14  1  0.381  0.807  0.100  1.0
  Bi  Bi15  1  0.807  0.381  0.100  1.0
  Bi  Bi16  1  0.808  0.808  0.080  1.0
  Bi  Bi17  1  0.613  0.199  0.604  1.0
  Bi  Bi18  1  0.199  0.613  0.604  1.0
  Bi  Bi19  1  0.195  0.195  0.618  1.0
  Bi  Bi20  1  0.337  0.337  0.141  1.0
  Bi  Bi21  1  0.662  0.662  0.651  1.0
[/CIF]
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The compound described by K4Ba2SnBi4 crystallizes in the monoclinic Cm space group. There are five inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Sn(1), one Bi(1), one Bi(2), one Bi(3), one Bi(4), and one Bi(6) atom. In the second K site, K(2) is bonded in a 4-coordinate geometry to one Bi(1), one Bi(2), one Bi(3), and one Bi(5) atom. In the third K site, K(3) is bonded in a 4-coordinate geometry to one Bi(4), one Bi(5), and two equivalent Bi(1) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to one Bi(1), one Bi(3), one Bi(4), and one Bi(6) atom. In the fifth K site, K(5) is bonded in a 4-coordinate geometry to one Bi(2), one Bi(6), and two equivalent Bi(3) atoms. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to one Sn(1), one Bi(6), two equivalent Bi(1), and two equivalent Bi(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one Sn(2), one Bi(1), one Bi(2), one Bi(3), one Bi(4), one Bi(5), and one Bi(6) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one Sn(2), one Bi(5), one Bi(6), two equivalent Bi(1), and two equivalent Bi(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to two equivalent K(1), one Ba(1), one Bi(4), one Bi(5), and two equivalent Bi(3) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to one Ba(3), two equivalent Ba(2), one Bi(2), one Bi(6), and two equivalent Bi(1) atoms. There are six inequivalent Bi sites. In the first Bi site, Bi(4) is bonded in a 8-coordinate geometry to one K(3), two equivalent K(1), two equivalent K(4), two equivalent Ba(2), and one Sn(1) atom. In the second Bi site, Bi(5) is bonded in a 7-coordinate geometry to one K(3), two equivalent K(2), one Ba(3), two equivalent Ba(2), and one Sn(1) atom. In the third Bi site, Bi(6) is bonded in a 10-coordinate geometry to one K(5), two equivalent K(1), two equivalent K(4), one Ba(1), one Ba(3), two equivalent Ba(2), and one Sn(2) atom. In the fourth Bi site, Bi(1) is bonded in a 8-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one Ba(1), one Ba(2), one Ba(3), and one Sn(2) atom. In the fifth Bi site, Bi(2) is bonded in a 8-coordinate geometry to one K(5), two equivalent K(1), two equivalent K(2), two equivalent Ba(2), and one Sn(2) atom. In the sixth Bi site, Bi(3) is bonded in a 8-coordinate geometry to one K(1), one K(2), one K(4), one K(5), one Ba(1), one Ba(2), one Ba(3), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4Ba2SnBi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.424
_cell_length_b   11.424
_cell_length_c   8.513
_cell_angle_alpha   89.051
_cell_angle_beta   89.051
_cell_angle_gamma   60.431
_symmetry_Int_Tables_number   1
_cell_volume   966.126
_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  0.954  0.523  0.372  1.0
  K  K1  1  0.523  0.954  0.372  1.0
  K  K2  1  0.709  0.139  0.188  1.0
  K  K3  1  0.139  0.709  0.188  1.0
  K  K4  1  0.150  0.150  0.205  1.0
  K  K5  1  0.288  0.858  0.676  1.0
  K  K6  1  0.858  0.288  0.676  1.0
  K  K7  1  0.852  0.852  0.650  1.0
  Ba  Ba8  1  0.523  0.523  0.371  1.0
  Ba  Ba9  1  0.037  0.484  0.873  1.0
  Ba  Ba10  1  0.484  0.037  0.873  1.0
  Ba  Ba11  1  0.483  0.483  0.870  1.0
  Sn  Sn12  1  0.333  0.333  0.493  1.0
  Sn  Sn13  1  0.665  0.665  0.998  1.0
  Bi  Bi14  1  0.381  0.807  0.100  1.0
  Bi  Bi15  1  0.807  0.381  0.100  1.0
  Bi  Bi16  1  0.808  0.808  0.080  1.0
  Bi  Bi17  1  0.613  0.199  0.604  1.0
  Bi  Bi18  1  0.199  0.613  0.604  1.0
  Bi  Bi19  1  0.195  0.195  0.618  1.0
  Bi  Bi20  1  0.337  0.337  0.141  1.0
  Bi  Bi21  1  0.662  0.662  0.651  1.0
[/CIF]
.