The material described by Ca5Bi3 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to two equivalent Bi(2) and three equivalent Bi(1) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one Bi(2) and four equivalent Bi(1) atoms. In the third Ca site, Ca(3) is bonded in a 5-coordinate geometry to one Bi(2) and four equivalent Bi(1) atoms. In the fourth Ca site, Ca(4) is bonded to one Bi(2) and four equivalent Bi(1) atoms to form distorted edge-sharing CaBi5 square pyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), two equivalent Ca(4), and three equivalent Ca(1) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), and four equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_Ca5Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.456
_cell_length_b   9.747
_cell_length_c   12.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1054.101
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.306  0.957  0.925  1.0
  Ca  Ca1  1  0.806  0.043  0.575  1.0
  Ca  Ca2  1  0.694  0.457  0.075  1.0
  Ca  Ca3  1  0.194  0.543  0.425  1.0
  Ca  Ca4  1  0.694  0.043  0.075  1.0
  Ca  Ca5  1  0.194  0.957  0.425  1.0
  Ca  Ca6  1  0.306  0.543  0.925  1.0
  Ca  Ca7  1  0.806  0.457  0.575  1.0
  Ca  Ca8  1  0.680  0.750  0.771  1.0
  Ca  Ca9  1  0.180  0.250  0.729  1.0
  Ca  Ca10  1  0.320  0.250  0.229  1.0
  Ca  Ca11  1  0.820  0.750  0.271  1.0
  Ca  Ca12  1  0.152  0.750  0.710  1.0
  Ca  Ca13  1  0.652  0.250  0.790  1.0
  Ca  Ca14  1  0.848  0.250  0.290  1.0
  Ca  Ca15  1  0.348  0.750  0.210  1.0
  Ca  Ca16  1  0.535  0.750  0.494  1.0
  Ca  Ca17  1  0.035  0.250  0.006  1.0
  Ca  Ca18  1  0.465  0.250  0.506  1.0
  Ca  Ca19  1  0.965  0.750  0.994  1.0
  Bi  Bi20  1  0.935  0.013  0.829  1.0
  Bi  Bi21  1  0.435  0.987  0.671  1.0
  Bi  Bi22  1  0.065  0.513  0.171  1.0
  Bi  Bi23  1  0.565  0.487  0.329  1.0
  Bi  Bi24  1  0.065  0.987  0.171  1.0
  Bi  Bi25  1  0.565  0.013  0.329  1.0
  Bi  Bi26  1  0.935  0.487  0.829  1.0
  Bi  Bi27  1  0.435  0.513  0.671  1.0
  Bi  Bi28  1  0.578  0.750  0.017  1.0
  Bi  Bi29  1  0.078  0.250  0.483  1.0
  Bi  Bi30  1  0.422  0.250  0.983  1.0
  Bi  Bi31  1  0.922  0.750  0.517  1.0
[/CIF]
.
The material described by Ca5Bi3 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to two equivalent Bi(2) and three equivalent Bi(1) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one Bi(2) and four equivalent Bi(1) atoms. In the third Ca site, Ca(3) is bonded in a 5-coordinate geometry to one Bi(2) and four equivalent Bi(1) atoms. In the fourth Ca site, Ca(4) is bonded to one Bi(2) and four equivalent Bi(1) atoms to form distorted edge-sharing CaBi5 square pyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), two equivalent Ca(4), and three equivalent Ca(1) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), and four equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_Ca5Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.456
_cell_length_b   9.747
_cell_length_c   12.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1054.101
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.306  0.957  0.925  1.0
  Ca  Ca1  1  0.806  0.043  0.575  1.0
  Ca  Ca2  1  0.694  0.457  0.075  1.0
  Ca  Ca3  1  0.194  0.543  0.425  1.0
  Ca  Ca4  1  0.694  0.043  0.075  1.0
  Ca  Ca5  1  0.194  0.957  0.425  1.0
  Ca  Ca6  1  0.306  0.543  0.925  1.0
  Ca  Ca7  1  0.806  0.457  0.575  1.0
  Ca  Ca8  1  0.680  0.750  0.771  1.0
  Ca  Ca9  1  0.180  0.250  0.729  1.0
  Ca  Ca10  1  0.320  0.250  0.229  1.0
  Ca  Ca11  1  0.820  0.750  0.271  1.0
  Ca  Ca12  1  0.152  0.750  0.710  1.0
  Ca  Ca13  1  0.652  0.250  0.790  1.0
  Ca  Ca14  1  0.848  0.250  0.290  1.0
  Ca  Ca15  1  0.348  0.750  0.210  1.0
  Ca  Ca16  1  0.535  0.750  0.494  1.0
  Ca  Ca17  1  0.035  0.250  0.006  1.0
  Ca  Ca18  1  0.465  0.250  0.506  1.0
  Ca  Ca19  1  0.965  0.750  0.994  1.0
  Bi  Bi20  1  0.935  0.013  0.829  1.0
  Bi  Bi21  1  0.435  0.987  0.671  1.0
  Bi  Bi22  1  0.065  0.513  0.171  1.0
  Bi  Bi23  1  0.565  0.487  0.329  1.0
  Bi  Bi24  1  0.065  0.987  0.171  1.0
  Bi  Bi25  1  0.565  0.013  0.329  1.0
  Bi  Bi26  1  0.935  0.487  0.829  1.0
  Bi  Bi27  1  0.435  0.513  0.671  1.0
  Bi  Bi28  1  0.578  0.750  0.017  1.0
  Bi  Bi29  1  0.078  0.250  0.483  1.0
  Bi  Bi30  1  0.422  0.250  0.983  1.0
  Bi  Bi31  1  0.922  0.750  0.517  1.0
[/CIF]
.