The structure described by Ca5Al2Bi6 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to two equivalent Al(1), one Bi(1), two equivalent Bi(2), and four equivalent Bi(3) atoms. In the second Ca site, Ca(2) is bonded to two equivalent Bi(1) and four equivalent Bi(2) atoms to form CaBi6 octahedra that share corners with two equivalent Ca(3)Bi6 octahedra, corners with four equivalent Ca(2)Bi6 octahedra, corners with four equivalent Al(1)Ca2Bi4 tetrahedra, edges with two equivalent Ca(2)Bi6 octahedra, edges with two equivalent Al(1)Ca2Bi4 tetrahedra, and faces with two equivalent Ca(2)Bi6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the third Ca site, Ca(3) is bonded to two equivalent Bi(1) and four equivalent Bi(3) atoms to form CaBi6 octahedra that share corners with four equivalent Ca(2)Bi6 octahedra, edges with two equivalent Ca(3)Bi6 octahedra, and edges with four equivalent Al(1)Ca2Bi4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-43°. Al(1) is bonded to two equivalent Ca(1), one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form distorted AlCa2Bi4 tetrahedra that share corners with four equivalent Ca(2)Bi6 octahedra, corners with two equivalent Bi(2)Ca6Al pentagonal bipyramids, edges with two equivalent Ca(2)Bi6 octahedra, edges with two equivalent Ca(3)Bi6 octahedra,  an edgeedge with one Bi(2)Ca6Al pentagonal bipyramid, and edges with two equivalent Al(1)Ca2Bi4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-65°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(3), two equivalent Ca(2), and two equivalent Al(1) atoms. In the second Bi site, Bi(2) is bonded to two equivalent Ca(1), four equivalent Ca(2), and one Al(1) atom to form distorted BiCa6Al pentagonal bipyramids that share corners with four equivalent Bi(2)Ca6Al pentagonal bipyramids, corners with two equivalent Al(1)Ca2Bi4 tetrahedra, edges with two equivalent Bi(2)Ca6Al pentagonal bipyramids,  an edgeedge with one Al(1)Ca2Bi4 tetrahedra, and faces with two equivalent Bi(2)Ca6Al pentagonal bipyramids. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to two equivalent Ca(3), four equivalent Ca(1), one Al(1), and one Bi(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5(AlBi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.588
_cell_length_b   7.588
_cell_length_c   23.580
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   820.869
_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
  Ca  Ca0  1  0.000  0.535  0.411  1.0
  Ca  Ca1  1  0.000  0.465  0.589  1.0
  Ca  Ca2  1  0.000  0.035  0.089  1.0
  Ca  Ca3  1  0.000  0.965  0.911  1.0
  Ca  Ca4  1  0.000  0.271  0.755  1.0
  Ca  Ca5  1  0.000  0.729  0.245  1.0
  Ca  Ca6  1  0.000  0.771  0.745  1.0
  Ca  Ca7  1  0.000  0.229  0.255  1.0
  Ca  Ca8  1  0.000  0.500  0.000  1.0
  Ca  Ca9  1  0.000  0.000  0.500  1.0
  Al  Al10  1  0.500  0.818  0.621  1.0
  Al  Al11  1  0.500  0.182  0.379  1.0
  Al  Al12  1  0.500  0.318  0.879  1.0
  Al  Al13  1  0.500  0.682  0.121  1.0
  Bi  Bi14  1  0.000  0.037  0.636  1.0
  Bi  Bi15  1  0.000  0.963  0.364  1.0
  Bi  Bi16  1  0.000  0.537  0.864  1.0
  Bi  Bi17  1  0.000  0.463  0.136  1.0
  Bi  Bi18  1  0.500  0.989  0.188  1.0
  Bi  Bi19  1  0.500  0.011  0.812  1.0
  Bi  Bi20  1  0.500  0.489  0.312  1.0
  Bi  Bi21  1  0.500  0.511  0.688  1.0
  Bi  Bi22  1  0.500  0.793  0.003  1.0
  Bi  Bi23  1  0.500  0.207  0.997  1.0
  Bi  Bi24  1  0.500  0.293  0.497  1.0
  Bi  Bi25  1  0.500  0.707  0.503  1.0
[/CIF]
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The structure described by Ca5Al2Bi6 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to two equivalent Al(1), one Bi(1), two equivalent Bi(2), and four equivalent Bi(3) atoms. In the second Ca site, Ca(2) is bonded to two equivalent Bi(1) and four equivalent Bi(2) atoms to form CaBi6 octahedra that share corners with two equivalent Ca(3)Bi6 octahedra, corners with four equivalent Ca(2)Bi6 octahedra, corners with four equivalent Al(1)Ca2Bi4 tetrahedra, edges with two equivalent Ca(2)Bi6 octahedra, edges with two equivalent Al(1)Ca2Bi4 tetrahedra, and faces with two equivalent Ca(2)Bi6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the third Ca site, Ca(3) is bonded to two equivalent Bi(1) and four equivalent Bi(3) atoms to form CaBi6 octahedra that share corners with four equivalent Ca(2)Bi6 octahedra, edges with two equivalent Ca(3)Bi6 octahedra, and edges with four equivalent Al(1)Ca2Bi4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-43°. Al(1) is bonded to two equivalent Ca(1), one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form distorted AlCa2Bi4 tetrahedra that share corners with four equivalent Ca(2)Bi6 octahedra, corners with two equivalent Bi(2)Ca6Al pentagonal bipyramids, edges with two equivalent Ca(2)Bi6 octahedra, edges with two equivalent Ca(3)Bi6 octahedra,  an edgeedge with one Bi(2)Ca6Al pentagonal bipyramid, and edges with two equivalent Al(1)Ca2Bi4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-65°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(3), two equivalent Ca(2), and two equivalent Al(1) atoms. In the second Bi site, Bi(2) is bonded to two equivalent Ca(1), four equivalent Ca(2), and one Al(1) atom to form distorted BiCa6Al pentagonal bipyramids that share corners with four equivalent Bi(2)Ca6Al pentagonal bipyramids, corners with two equivalent Al(1)Ca2Bi4 tetrahedra, edges with two equivalent Bi(2)Ca6Al pentagonal bipyramids,  an edgeedge with one Al(1)Ca2Bi4 tetrahedra, and faces with two equivalent Bi(2)Ca6Al pentagonal bipyramids. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to two equivalent Ca(3), four equivalent Ca(1), one Al(1), and one Bi(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5(AlBi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.588
_cell_length_b   7.588
_cell_length_c   23.580
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   820.869
_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
  Ca  Ca0  1  0.000  0.535  0.411  1.0
  Ca  Ca1  1  0.000  0.465  0.589  1.0
  Ca  Ca2  1  0.000  0.035  0.089  1.0
  Ca  Ca3  1  0.000  0.965  0.911  1.0
  Ca  Ca4  1  0.000  0.271  0.755  1.0
  Ca  Ca5  1  0.000  0.729  0.245  1.0
  Ca  Ca6  1  0.000  0.771  0.745  1.0
  Ca  Ca7  1  0.000  0.229  0.255  1.0
  Ca  Ca8  1  0.000  0.500  0.000  1.0
  Ca  Ca9  1  0.000  0.000  0.500  1.0
  Al  Al10  1  0.500  0.818  0.621  1.0
  Al  Al11  1  0.500  0.182  0.379  1.0
  Al  Al12  1  0.500  0.318  0.879  1.0
  Al  Al13  1  0.500  0.682  0.121  1.0
  Bi  Bi14  1  0.000  0.037  0.636  1.0
  Bi  Bi15  1  0.000  0.963  0.364  1.0
  Bi  Bi16  1  0.000  0.537  0.864  1.0
  Bi  Bi17  1  0.000  0.463  0.136  1.0
  Bi  Bi18  1  0.500  0.989  0.188  1.0
  Bi  Bi19  1  0.500  0.011  0.812  1.0
  Bi  Bi20  1  0.500  0.489  0.312  1.0
  Bi  Bi21  1  0.500  0.511  0.688  1.0
  Bi  Bi22  1  0.500  0.793  0.003  1.0
  Bi  Bi23  1  0.500  0.207  0.997  1.0
  Bi  Bi24  1  0.500  0.293  0.497  1.0
  Bi  Bi25  1  0.500  0.707  0.503  1.0
[/CIF]
.