The structure described by Ca9Zn4Bi9 crystallizes in the orthorhombic Pbam space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent Zn(1), two equivalent Bi(4), and four equivalent Bi(5) atoms. In the second Ca site, Ca(2) is bonded to two equivalent Bi(2), two equivalent Bi(3), and two equivalent Bi(4) atoms to form a mixture of edge and corner-sharing CaBi6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one Zn(1), one Bi(1), one Bi(4), two equivalent Bi(2), and two equivalent Bi(5) atoms. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to two equivalent Zn(1), one Bi(2), two equivalent Bi(1), and two equivalent Bi(3) atoms. In the fifth Ca site, Ca(5) is bonded in a 7-coordinate geometry to two equivalent Zn(1), two equivalent Zn(2), one Bi(5), two equivalent Bi(3), and two equivalent Bi(4) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(3), two equivalent Ca(4), two equivalent Ca(5), one Bi(1), one Bi(3), and two equivalent Bi(5) atoms. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to two equivalent Ca(5), one Bi(3), one Bi(4), and two equivalent Bi(2) atoms. There are five inequivalent Bi sites. In the first Bi site, Bi(3) is bonded in a 8-coordinate geometry to two equivalent Ca(2), two equivalent Ca(4), two equivalent Ca(5), one Zn(1), and one Zn(2) atom. In the second Bi site, Bi(4) is bonded to one Ca(1), one Ca(3), two equivalent Ca(2), two equivalent Ca(5), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing BiCa6Zn pentagonal bipyramids. In the third Bi site, Bi(5) is bonded in a 7-coordinate geometry to one Ca(5), two equivalent Ca(1), two equivalent Ca(3), and two equivalent Zn(1) atoms. In the fourth Bi site, Bi(1) is bonded in a distorted body-centered cubic geometry to two equivalent Ca(3), four equivalent Ca(4), and two equivalent Zn(1) atoms. In the fifth Bi site, Bi(2) is bonded in a 7-coordinate geometry to one Ca(4), two equivalent Ca(2), two equivalent Ca(3), and two equivalent Zn(2) atoms. is represented by the CIF file [CIF]
data_Ca9Zn4Bi9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.650
_cell_length_b   12.732
_cell_length_c   22.153
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1311.678
_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  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.000  0.000  1.0
  Ca  Ca2  1  0.000  0.874  0.235  1.0
  Ca  Ca3  1  0.000  0.126  0.765  1.0
  Ca  Ca4  1  0.000  0.374  0.265  1.0
  Ca  Ca5  1  0.000  0.626  0.735  1.0
  Ca  Ca6  1  0.500  0.705  0.101  1.0
  Ca  Ca7  1  0.500  0.295  0.899  1.0
  Ca  Ca8  1  0.500  0.205  0.399  1.0
  Ca  Ca9  1  0.500  0.795  0.601  1.0
  Ca  Ca10  1  0.000  0.928  0.411  1.0
  Ca  Ca11  1  0.000  0.072  0.589  1.0
  Ca  Ca12  1  0.000  0.428  0.089  1.0
  Ca  Ca13  1  0.000  0.572  0.911  1.0
  Ca  Ca14  1  0.000  0.631  0.362  1.0
  Ca  Ca15  1  0.000  0.369  0.638  1.0
  Ca  Ca16  1  0.000  0.131  0.138  1.0
  Ca  Ca17  1  0.000  0.869  0.862  1.0
  Zn  Zn18  1  0.500  0.729  0.953  1.0
  Zn  Zn19  1  0.500  0.271  0.047  1.0
  Zn  Zn20  1  0.500  0.229  0.547  1.0
  Zn  Zn21  1  0.500  0.771  0.453  1.0
  Zn  Zn22  1  0.500  0.889  0.763  1.0
  Zn  Zn23  1  0.500  0.111  0.237  1.0
  Zn  Zn24  1  0.500  0.389  0.737  1.0
  Zn  Zn25  1  0.500  0.611  0.263  1.0
  Bi  Bi26  1  0.500  0.000  0.500  1.0
  Bi  Bi27  1  0.500  0.500  0.000  1.0
  Bi  Bi28  1  0.000  0.613  0.194  1.0
  Bi  Bi29  1  0.000  0.387  0.806  1.0
  Bi  Bi30  1  0.000  0.113  0.306  1.0
  Bi  Bi31  1  0.000  0.887  0.694  1.0
  Bi  Bi32  1  0.500  0.807  0.330  1.0
  Bi  Bi33  1  0.500  0.193  0.670  1.0
  Bi  Bi34  1  0.500  0.307  0.170  1.0
  Bi  Bi35  1  0.500  0.693  0.830  1.0
  Bi  Bi36  1  0.500  0.954  0.145  1.0
  Bi  Bi37  1  0.500  0.046  0.855  1.0
  Bi  Bi38  1  0.500  0.454  0.355  1.0
  Bi  Bi39  1  0.500  0.546  0.645  1.0
  Bi  Bi40  1  0.000  0.809  0.008  1.0
  Bi  Bi41  1  0.000  0.191  0.992  1.0
  Bi  Bi42  1  0.000  0.309  0.492  1.0
  Bi  Bi43  1  0.000  0.691  0.508  1.0
[/CIF]
.
The structure described by Ca9Zn4Bi9 crystallizes in the orthorhombic Pbam space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent Zn(1), two equivalent Bi(4), and four equivalent Bi(5) atoms. In the second Ca site, Ca(2) is bonded to two equivalent Bi(2), two equivalent Bi(3), and two equivalent Bi(4) atoms to form a mixture of edge and corner-sharing CaBi6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one Zn(1), one Bi(1), one Bi(4), two equivalent Bi(2), and two equivalent Bi(5) atoms. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to two equivalent Zn(1), one Bi(2), two equivalent Bi(1), and two equivalent Bi(3) atoms. In the fifth Ca site, Ca(5) is bonded in a 7-coordinate geometry to two equivalent Zn(1), two equivalent Zn(2), one Bi(5), two equivalent Bi(3), and two equivalent Bi(4) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(3), two equivalent Ca(4), two equivalent Ca(5), one Bi(1), one Bi(3), and two equivalent Bi(5) atoms. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to two equivalent Ca(5), one Bi(3), one Bi(4), and two equivalent Bi(2) atoms. There are five inequivalent Bi sites. In the first Bi site, Bi(3) is bonded in a 8-coordinate geometry to two equivalent Ca(2), two equivalent Ca(4), two equivalent Ca(5), one Zn(1), and one Zn(2) atom. In the second Bi site, Bi(4) is bonded to one Ca(1), one Ca(3), two equivalent Ca(2), two equivalent Ca(5), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing BiCa6Zn pentagonal bipyramids. In the third Bi site, Bi(5) is bonded in a 7-coordinate geometry to one Ca(5), two equivalent Ca(1), two equivalent Ca(3), and two equivalent Zn(1) atoms. In the fourth Bi site, Bi(1) is bonded in a distorted body-centered cubic geometry to two equivalent Ca(3), four equivalent Ca(4), and two equivalent Zn(1) atoms. In the fifth Bi site, Bi(2) is bonded in a 7-coordinate geometry to one Ca(4), two equivalent Ca(2), two equivalent Ca(3), and two equivalent Zn(2) atoms. is represented by the CIF file [CIF]
data_Ca9Zn4Bi9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.650
_cell_length_b   12.732
_cell_length_c   22.153
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1311.678
_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  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.000  0.000  1.0
  Ca  Ca2  1  0.000  0.874  0.235  1.0
  Ca  Ca3  1  0.000  0.126  0.765  1.0
  Ca  Ca4  1  0.000  0.374  0.265  1.0
  Ca  Ca5  1  0.000  0.626  0.735  1.0
  Ca  Ca6  1  0.500  0.705  0.101  1.0
  Ca  Ca7  1  0.500  0.295  0.899  1.0
  Ca  Ca8  1  0.500  0.205  0.399  1.0
  Ca  Ca9  1  0.500  0.795  0.601  1.0
  Ca  Ca10  1  0.000  0.928  0.411  1.0
  Ca  Ca11  1  0.000  0.072  0.589  1.0
  Ca  Ca12  1  0.000  0.428  0.089  1.0
  Ca  Ca13  1  0.000  0.572  0.911  1.0
  Ca  Ca14  1  0.000  0.631  0.362  1.0
  Ca  Ca15  1  0.000  0.369  0.638  1.0
  Ca  Ca16  1  0.000  0.131  0.138  1.0
  Ca  Ca17  1  0.000  0.869  0.862  1.0
  Zn  Zn18  1  0.500  0.729  0.953  1.0
  Zn  Zn19  1  0.500  0.271  0.047  1.0
  Zn  Zn20  1  0.500  0.229  0.547  1.0
  Zn  Zn21  1  0.500  0.771  0.453  1.0
  Zn  Zn22  1  0.500  0.889  0.763  1.0
  Zn  Zn23  1  0.500  0.111  0.237  1.0
  Zn  Zn24  1  0.500  0.389  0.737  1.0
  Zn  Zn25  1  0.500  0.611  0.263  1.0
  Bi  Bi26  1  0.500  0.000  0.500  1.0
  Bi  Bi27  1  0.500  0.500  0.000  1.0
  Bi  Bi28  1  0.000  0.613  0.194  1.0
  Bi  Bi29  1  0.000  0.387  0.806  1.0
  Bi  Bi30  1  0.000  0.113  0.306  1.0
  Bi  Bi31  1  0.000  0.887  0.694  1.0
  Bi  Bi32  1  0.500  0.807  0.330  1.0
  Bi  Bi33  1  0.500  0.193  0.670  1.0
  Bi  Bi34  1  0.500  0.307  0.170  1.0
  Bi  Bi35  1  0.500  0.693  0.830  1.0
  Bi  Bi36  1  0.500  0.954  0.145  1.0
  Bi  Bi37  1  0.500  0.046  0.855  1.0
  Bi  Bi38  1  0.500  0.454  0.355  1.0
  Bi  Bi39  1  0.500  0.546  0.645  1.0
  Bi  Bi40  1  0.000  0.809  0.008  1.0
  Bi  Bi41  1  0.000  0.191  0.992  1.0
  Bi  Bi42  1  0.000  0.309  0.492  1.0
  Bi  Bi43  1  0.000  0.691  0.508  1.0
[/CIF]
.