The material described by Ca11Bi10 crystallizes in the monoclinic C2/m space group. There are seven inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one Bi(1), one Bi(2), one Bi(5), two equivalent Bi(6), and two equivalent Bi(7) atoms to form a mixture of distorted face, corner, and edge-sharing CaBi7 pentagonal bipyramids. In the second Ca site, Ca(2) is bonded to one Bi(1), one Bi(2), one Bi(5), two equivalent Bi(7), and two equivalent Bi(8) atoms to form a mixture of distorted face, corner, and edge-sharing CaBi7 pentagonal bipyramids. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one Bi(3), one Bi(6), one Bi(8), two equivalent Bi(1), and two equivalent Bi(2) atoms. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one Bi(4), two equivalent Bi(1), two equivalent Bi(2), and two equivalent Bi(7) atoms. In the fifth Ca site, Ca(5) is bonded in a 9-coordinate geometry to one Bi(2), one Bi(6), one Bi(8), two equivalent Bi(3), two equivalent Bi(4), and two equivalent Bi(7) atoms. In the sixth Ca site, Ca(6) is bonded in a 7-coordinate geometry to one Bi(3), one Bi(4), one Bi(5), one Bi(6), one Bi(7), and two equivalent Bi(1) atoms. In the seventh Ca site, Ca(7) is bonded in a 7-coordinate geometry to one Bi(3), one Bi(4), one Bi(5), one Bi(7), one Bi(8), and two equivalent Bi(1) atoms. There are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), two equivalent Ca(6), and two equivalent Ca(7) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one Ca(5), two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), and two equivalent Ca(4) atoms. In the third Bi site, Bi(3) is bonded in a 11-coordinate geometry to one Ca(3), two equivalent Ca(5), two equivalent Ca(6), two equivalent Ca(7), one Bi(6), one Bi(8), and two equivalent Bi(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 11-coordinate geometry to one Ca(4), two equivalent Ca(5), two equivalent Ca(6), two equivalent Ca(7), two equivalent Bi(3), and two equivalent Bi(7) atoms. In the fifth Bi site, Bi(5) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(6), and two equivalent Ca(7) atoms. In the sixth Bi site, Bi(6) is bonded in a 10-coordinate geometry to one Ca(3), one Ca(5), two equivalent Ca(6), four equivalent Ca(1), one Bi(3), and one Bi(6) atom. In the seventh Bi site, Bi(7) is bonded in a 10-coordinate geometry to one Ca(4), one Ca(5), one Ca(6), one Ca(7), two equivalent Ca(1), two equivalent Ca(2), one Bi(4), and one Bi(7) atom. In the eighth Bi site, Bi(8) is bonded in a 10-coordinate geometry to one Ca(3), one Ca(5), two equivalent Ca(7), four equivalent Ca(2), one Bi(3), and one Bi(8) atom. is represented by the CIF file [CIF]
data_Ca11Bi10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.328
_cell_length_b   12.328
_cell_length_c   12.458
_cell_angle_alpha   119.710
_cell_angle_beta   119.710
_cell_angle_gamma   89.987
_symmetry_Int_Tables_number   1
_cell_volume   1350.612
_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  0.190  0.441  0.380  1.0
  Ca  Ca1  1  0.939  0.190  0.380  1.0
  Ca  Ca2  1  0.441  0.190  0.380  1.0
  Ca  Ca3  1  0.810  0.559  0.620  1.0
  Ca  Ca4  1  0.810  0.061  0.620  1.0
  Ca  Ca5  1  0.061  0.810  0.620  1.0
  Ca  Ca6  1  0.559  0.810  0.620  1.0
  Ca  Ca7  1  0.190  0.939  0.380  1.0
  Ca  Ca8  1  0.162  0.162  0.000  1.0
  Ca  Ca9  1  0.838  0.162  0.000  1.0
  Ca  Ca10  1  0.162  0.838  0.000  1.0
  Ca  Ca11  1  0.838  0.838  1.000  1.0
  Ca  Ca12  1  0.336  0.336  0.671  1.0
  Ca  Ca13  1  0.664  0.664  0.329  1.0
  Ca  Ca14  1  0.397  0.738  0.793  1.0
  Ca  Ca15  1  0.055  0.397  0.793  1.0
  Ca  Ca16  1  0.738  0.397  0.793  1.0
  Ca  Ca17  1  0.603  0.262  0.207  1.0
  Ca  Ca18  1  0.603  0.945  0.207  1.0
  Ca  Ca19  1  0.945  0.603  0.207  1.0
  Ca  Ca20  1  0.262  0.603  0.207  1.0
  Ca  Ca21  1  0.397  0.055  0.793  1.0
  Bi  Bi22  1  0.347  1.000  1.000  1.0
  Bi  Bi23  1  1.000  0.347  1.000  1.0
  Bi  Bi24  1  0.000  0.653  0.000  1.0
  Bi  Bi25  1  0.653  0.000  0.000  1.0
  Bi  Bi26  1  0.129  0.129  0.258  1.0
  Bi  Bi27  1  0.871  0.871  0.742  1.0
  Bi  Bi28  1  0.371  0.371  0.002  1.0
  Bi  Bi29  1  0.630  0.370  0.000  1.0
  Bi  Bi30  1  0.370  0.630  0.000  1.0
  Bi  Bi31  1  0.629  0.629  0.998  1.0
  Bi  Bi32  1  0.250  0.750  0.500  1.0
  Bi  Bi33  1  0.750  0.250  0.500  1.0
  Bi  Bi34  1  0.532  0.532  0.654  1.0
  Bi  Bi35  1  0.123  0.531  0.654  1.0
  Bi  Bi36  1  0.531  0.123  0.654  1.0
  Bi  Bi37  1  0.877  0.469  0.346  1.0
  Bi  Bi38  1  0.469  0.877  0.346  1.0
  Bi  Bi39  1  0.877  0.877  0.346  1.0
  Bi  Bi40  1  0.468  0.468  0.346  1.0
  Bi  Bi41  1  0.123  0.123  0.654  1.0
[/CIF]
.
The material described by Ca11Bi10 crystallizes in the monoclinic C2/m space group. There are seven inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one Bi(1), one Bi(2), one Bi(5), two equivalent Bi(6), and two equivalent Bi(7) atoms to form a mixture of distorted face, corner, and edge-sharing CaBi7 pentagonal bipyramids. In the second Ca site, Ca(2) is bonded to one Bi(1), one Bi(2), one Bi(5), two equivalent Bi(7), and two equivalent Bi(8) atoms to form a mixture of distorted face, corner, and edge-sharing CaBi7 pentagonal bipyramids. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one Bi(3), one Bi(6), one Bi(8), two equivalent Bi(1), and two equivalent Bi(2) atoms. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one Bi(4), two equivalent Bi(1), two equivalent Bi(2), and two equivalent Bi(7) atoms. In the fifth Ca site, Ca(5) is bonded in a 9-coordinate geometry to one Bi(2), one Bi(6), one Bi(8), two equivalent Bi(3), two equivalent Bi(4), and two equivalent Bi(7) atoms. In the sixth Ca site, Ca(6) is bonded in a 7-coordinate geometry to one Bi(3), one Bi(4), one Bi(5), one Bi(6), one Bi(7), and two equivalent Bi(1) atoms. In the seventh Ca site, Ca(7) is bonded in a 7-coordinate geometry to one Bi(3), one Bi(4), one Bi(5), one Bi(7), one Bi(8), and two equivalent Bi(1) atoms. There are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), two equivalent Ca(6), and two equivalent Ca(7) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one Ca(5), two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), and two equivalent Ca(4) atoms. In the third Bi site, Bi(3) is bonded in a 11-coordinate geometry to one Ca(3), two equivalent Ca(5), two equivalent Ca(6), two equivalent Ca(7), one Bi(6), one Bi(8), and two equivalent Bi(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 11-coordinate geometry to one Ca(4), two equivalent Ca(5), two equivalent Ca(6), two equivalent Ca(7), two equivalent Bi(3), and two equivalent Bi(7) atoms. In the fifth Bi site, Bi(5) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(6), and two equivalent Ca(7) atoms. In the sixth Bi site, Bi(6) is bonded in a 10-coordinate geometry to one Ca(3), one Ca(5), two equivalent Ca(6), four equivalent Ca(1), one Bi(3), and one Bi(6) atom. In the seventh Bi site, Bi(7) is bonded in a 10-coordinate geometry to one Ca(4), one Ca(5), one Ca(6), one Ca(7), two equivalent Ca(1), two equivalent Ca(2), one Bi(4), and one Bi(7) atom. In the eighth Bi site, Bi(8) is bonded in a 10-coordinate geometry to one Ca(3), one Ca(5), two equivalent Ca(7), four equivalent Ca(2), one Bi(3), and one Bi(8) atom. is represented by the CIF file [CIF]
data_Ca11Bi10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.328
_cell_length_b   12.328
_cell_length_c   12.458
_cell_angle_alpha   119.710
_cell_angle_beta   119.710
_cell_angle_gamma   89.987
_symmetry_Int_Tables_number   1
_cell_volume   1350.612
_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  0.190  0.441  0.380  1.0
  Ca  Ca1  1  0.939  0.190  0.380  1.0
  Ca  Ca2  1  0.441  0.190  0.380  1.0
  Ca  Ca3  1  0.810  0.559  0.620  1.0
  Ca  Ca4  1  0.810  0.061  0.620  1.0
  Ca  Ca5  1  0.061  0.810  0.620  1.0
  Ca  Ca6  1  0.559  0.810  0.620  1.0
  Ca  Ca7  1  0.190  0.939  0.380  1.0
  Ca  Ca8  1  0.162  0.162  0.000  1.0
  Ca  Ca9  1  0.838  0.162  0.000  1.0
  Ca  Ca10  1  0.162  0.838  0.000  1.0
  Ca  Ca11  1  0.838  0.838  1.000  1.0
  Ca  Ca12  1  0.336  0.336  0.671  1.0
  Ca  Ca13  1  0.664  0.664  0.329  1.0
  Ca  Ca14  1  0.397  0.738  0.793  1.0
  Ca  Ca15  1  0.055  0.397  0.793  1.0
  Ca  Ca16  1  0.738  0.397  0.793  1.0
  Ca  Ca17  1  0.603  0.262  0.207  1.0
  Ca  Ca18  1  0.603  0.945  0.207  1.0
  Ca  Ca19  1  0.945  0.603  0.207  1.0
  Ca  Ca20  1  0.262  0.603  0.207  1.0
  Ca  Ca21  1  0.397  0.055  0.793  1.0
  Bi  Bi22  1  0.347  1.000  1.000  1.0
  Bi  Bi23  1  1.000  0.347  1.000  1.0
  Bi  Bi24  1  0.000  0.653  0.000  1.0
  Bi  Bi25  1  0.653  0.000  0.000  1.0
  Bi  Bi26  1  0.129  0.129  0.258  1.0
  Bi  Bi27  1  0.871  0.871  0.742  1.0
  Bi  Bi28  1  0.371  0.371  0.002  1.0
  Bi  Bi29  1  0.630  0.370  0.000  1.0
  Bi  Bi30  1  0.370  0.630  0.000  1.0
  Bi  Bi31  1  0.629  0.629  0.998  1.0
  Bi  Bi32  1  0.250  0.750  0.500  1.0
  Bi  Bi33  1  0.750  0.250  0.500  1.0
  Bi  Bi34  1  0.532  0.532  0.654  1.0
  Bi  Bi35  1  0.123  0.531  0.654  1.0
  Bi  Bi36  1  0.531  0.123  0.654  1.0
  Bi  Bi37  1  0.877  0.469  0.346  1.0
  Bi  Bi38  1  0.469  0.877  0.346  1.0
  Bi  Bi39  1  0.877  0.877  0.346  1.0
  Bi  Bi40  1  0.468  0.468  0.346  1.0
  Bi  Bi41  1  0.123  0.123  0.654  1.0
[/CIF]
.