The material structure described by Ba5In4Bi5 crystallizes in the tetragonal P4nc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to four equivalent In(1), one Bi(1), and four equivalent Bi(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to four equivalent In(1), one Bi(1), and five equivalent Bi(2) atoms. In(1) is bonded in a 10-coordinate geometry to one Ba(1), four equivalent Ba(2), two equivalent In(1), one Bi(1), and two equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Ba(1), four equivalent Ba(2), and four equivalent In(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one Ba(1), five equivalent Ba(2), and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Ba5In4Bi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.789
_cell_length_b   10.789
_cell_length_c   9.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1065.628
_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
  Ba  Ba0  1  0.000  0.000  0.198  1.0
  Ba  Ba1  1  0.500  0.500  0.698  1.0
  Ba  Ba2  1  0.190  0.605  0.374  1.0
  Ba  Ba3  1  0.605  0.810  0.374  1.0
  Ba  Ba4  1  0.395  0.190  0.374  1.0
  Ba  Ba5  1  0.810  0.395  0.374  1.0
  Ba  Ba6  1  0.690  0.895  0.874  1.0
  Ba  Ba7  1  0.310  0.105  0.874  1.0
  Ba  Ba8  1  0.895  0.310  0.874  1.0
  Ba  Ba9  1  0.105  0.690  0.874  1.0
  In  In10  1  0.684  0.572  0.031  1.0
  In  In11  1  0.316  0.428  0.031  1.0
  In  In12  1  0.428  0.684  0.031  1.0
  In  In13  1  0.572  0.316  0.031  1.0
  In  In14  1  0.928  0.816  0.531  1.0
  In  In15  1  0.816  0.072  0.531  1.0
  In  In16  1  0.184  0.928  0.531  1.0
  In  In17  1  0.072  0.184  0.531  1.0
  Bi  Bi18  1  0.000  0.000  0.812  1.0
  Bi  Bi19  1  0.500  0.500  0.312  1.0
  Bi  Bi20  1  0.890  0.690  0.193  1.0
  Bi  Bi21  1  0.110  0.310  0.193  1.0
  Bi  Bi22  1  0.310  0.890  0.193  1.0
  Bi  Bi23  1  0.690  0.110  0.193  1.0
  Bi  Bi24  1  0.810  0.610  0.693  1.0
  Bi  Bi25  1  0.610  0.190  0.693  1.0
  Bi  Bi26  1  0.390  0.810  0.693  1.0
  Bi  Bi27  1  0.190  0.390  0.693  1.0
[/CIF]
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The material structure described by Ba5In4Bi5 crystallizes in the tetragonal P4nc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to four equivalent In(1), one Bi(1), and four equivalent Bi(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to four equivalent In(1), one Bi(1), and five equivalent Bi(2) atoms. In(1) is bonded in a 10-coordinate geometry to one Ba(1), four equivalent Ba(2), two equivalent In(1), one Bi(1), and two equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Ba(1), four equivalent Ba(2), and four equivalent In(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one Ba(1), five equivalent Ba(2), and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Ba5In4Bi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.789
_cell_length_b   10.789
_cell_length_c   9.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1065.628
_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
  Ba  Ba0  1  0.000  0.000  0.198  1.0
  Ba  Ba1  1  0.500  0.500  0.698  1.0
  Ba  Ba2  1  0.190  0.605  0.374  1.0
  Ba  Ba3  1  0.605  0.810  0.374  1.0
  Ba  Ba4  1  0.395  0.190  0.374  1.0
  Ba  Ba5  1  0.810  0.395  0.374  1.0
  Ba  Ba6  1  0.690  0.895  0.874  1.0
  Ba  Ba7  1  0.310  0.105  0.874  1.0
  Ba  Ba8  1  0.895  0.310  0.874  1.0
  Ba  Ba9  1  0.105  0.690  0.874  1.0
  In  In10  1  0.684  0.572  0.031  1.0
  In  In11  1  0.316  0.428  0.031  1.0
  In  In12  1  0.428  0.684  0.031  1.0
  In  In13  1  0.572  0.316  0.031  1.0
  In  In14  1  0.928  0.816  0.531  1.0
  In  In15  1  0.816  0.072  0.531  1.0
  In  In16  1  0.184  0.928  0.531  1.0
  In  In17  1  0.072  0.184  0.531  1.0
  Bi  Bi18  1  0.000  0.000  0.812  1.0
  Bi  Bi19  1  0.500  0.500  0.312  1.0
  Bi  Bi20  1  0.890  0.690  0.193  1.0
  Bi  Bi21  1  0.110  0.310  0.193  1.0
  Bi  Bi22  1  0.310  0.890  0.193  1.0
  Bi  Bi23  1  0.690  0.110  0.193  1.0
  Bi  Bi24  1  0.810  0.610  0.693  1.0
  Bi  Bi25  1  0.610  0.190  0.693  1.0
  Bi  Bi26  1  0.390  0.810  0.693  1.0
  Bi  Bi27  1  0.190  0.390  0.693  1.0
[/CIF]
.