The compound described by Ca11Sb10 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one Sb(1), one Sb(2), one Sb(4), and four equivalent Sb(5) atoms to form a mixture of distorted face, corner, and edge-sharing CaSb7 pentagonal bipyramids. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one Sb(3), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(5) atoms. In the third Ca site, Ca(3) is bonded in a 9-coordinate geometry to one Sb(2), four equivalent Sb(3), and four equivalent Sb(5) atoms. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one Sb(4), two equivalent Sb(1), two equivalent Sb(3), and two equivalent Sb(5) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and four equivalent Ca(4) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Ca(3), four equivalent Ca(1), and four equivalent Ca(2) atoms. In the third Sb site, Sb(3) is bonded in a 11-coordinate geometry to one Ca(2), two equivalent Ca(3), four equivalent Ca(4), two equivalent Sb(3), and two equivalent Sb(5) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Ca(4) atoms. In the fifth Sb site, Sb(5) is bonded in a 10-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(4), four equivalent Ca(1), one Sb(3), and one Sb(5) atom. is represented by the CIF card [CIF]
data_Ca11Sb10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.018
_cell_length_b   12.018
_cell_length_c   12.107
_cell_angle_alpha   119.757
_cell_angle_beta   119.757
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1245.406
_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  0.189  0.441  0.378  1.0
  Ca  Ca1  1  0.937  0.189  0.378  1.0
  Ca  Ca2  1  0.441  0.189  0.378  1.0
  Ca  Ca3  1  0.811  0.559  0.622  1.0
  Ca  Ca4  1  0.811  0.063  0.622  1.0
  Ca  Ca5  1  0.063  0.811  0.622  1.0
  Ca  Ca6  1  0.559  0.811  0.622  1.0
  Ca  Ca7  1  0.189  0.937  0.378  1.0
  Ca  Ca8  1  0.165  0.165  0.000  1.0
  Ca  Ca9  1  0.835  0.165  0.000  1.0
  Ca  Ca10  1  0.165  0.835  0.000  1.0
  Ca  Ca11  1  0.835  0.835  0.000  1.0
  Ca  Ca12  1  0.335  0.335  0.670  1.0
  Ca  Ca13  1  0.665  0.665  0.330  1.0
  Ca  Ca14  1  0.397  0.736  0.793  1.0
  Ca  Ca15  1  0.057  0.397  0.793  1.0
  Ca  Ca16  1  0.736  0.397  0.793  1.0
  Ca  Ca17  1  0.603  0.264  0.207  1.0
  Ca  Ca18  1  0.603  0.943  0.207  1.0
  Ca  Ca19  1  0.943  0.603  0.207  1.0
  Ca  Ca20  1  0.264  0.603  0.207  1.0
  Ca  Ca21  1  0.397  0.057  0.793  1.0
  Sb  Sb22  1  0.348  0.000  0.000  1.0
  Sb  Sb23  1  0.000  0.348  0.000  1.0
  Sb  Sb24  1  0.000  0.652  0.000  1.0
  Sb  Sb25  1  0.652  0.000  0.000  1.0
  Sb  Sb26  1  0.129  0.129  0.257  1.0
  Sb  Sb27  1  0.871  0.871  0.743  1.0
  Sb  Sb28  1  0.373  0.373  0.000  1.0
  Sb  Sb29  1  0.627  0.373  0.000  1.0
  Sb  Sb30  1  0.373  0.627  0.000  1.0
  Sb  Sb31  1  0.627  0.627  0.000  1.0
  Sb  Sb32  1  0.250  0.750  0.500  1.0
  Sb  Sb33  1  0.750  0.250  0.500  1.0
  Sb  Sb34  1  0.531  0.531  0.650  1.0
  Sb  Sb35  1  0.119  0.531  0.650  1.0
  Sb  Sb36  1  0.531  0.119  0.650  1.0
  Sb  Sb37  1  0.881  0.469  0.350  1.0
  Sb  Sb38  1  0.469  0.881  0.350  1.0
  Sb  Sb39  1  0.881  0.881  0.350  1.0
  Sb  Sb40  1  0.469  0.469  0.350  1.0
  Sb  Sb41  1  0.119  0.119  0.650  1.0
[/CIF]
.
The compound described by Ca11Sb10 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one Sb(1), one Sb(2), one Sb(4), and four equivalent Sb(5) atoms to form a mixture of distorted face, corner, and edge-sharing CaSb7 pentagonal bipyramids. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one Sb(3), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(5) atoms. In the third Ca site, Ca(3) is bonded in a 9-coordinate geometry to one Sb(2), four equivalent Sb(3), and four equivalent Sb(5) atoms. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one Sb(4), two equivalent Sb(1), two equivalent Sb(3), and two equivalent Sb(5) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and four equivalent Ca(4) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Ca(3), four equivalent Ca(1), and four equivalent Ca(2) atoms. In the third Sb site, Sb(3) is bonded in a 11-coordinate geometry to one Ca(2), two equivalent Ca(3), four equivalent Ca(4), two equivalent Sb(3), and two equivalent Sb(5) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Ca(4) atoms. In the fifth Sb site, Sb(5) is bonded in a 10-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(4), four equivalent Ca(1), one Sb(3), and one Sb(5) atom. is represented by the CIF card [CIF]
data_Ca11Sb10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.018
_cell_length_b   12.018
_cell_length_c   12.107
_cell_angle_alpha   119.757
_cell_angle_beta   119.757
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1245.406
_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  0.189  0.441  0.378  1.0
  Ca  Ca1  1  0.937  0.189  0.378  1.0
  Ca  Ca2  1  0.441  0.189  0.378  1.0
  Ca  Ca3  1  0.811  0.559  0.622  1.0
  Ca  Ca4  1  0.811  0.063  0.622  1.0
  Ca  Ca5  1  0.063  0.811  0.622  1.0
  Ca  Ca6  1  0.559  0.811  0.622  1.0
  Ca  Ca7  1  0.189  0.937  0.378  1.0
  Ca  Ca8  1  0.165  0.165  0.000  1.0
  Ca  Ca9  1  0.835  0.165  0.000  1.0
  Ca  Ca10  1  0.165  0.835  0.000  1.0
  Ca  Ca11  1  0.835  0.835  0.000  1.0
  Ca  Ca12  1  0.335  0.335  0.670  1.0
  Ca  Ca13  1  0.665  0.665  0.330  1.0
  Ca  Ca14  1  0.397  0.736  0.793  1.0
  Ca  Ca15  1  0.057  0.397  0.793  1.0
  Ca  Ca16  1  0.736  0.397  0.793  1.0
  Ca  Ca17  1  0.603  0.264  0.207  1.0
  Ca  Ca18  1  0.603  0.943  0.207  1.0
  Ca  Ca19  1  0.943  0.603  0.207  1.0
  Ca  Ca20  1  0.264  0.603  0.207  1.0
  Ca  Ca21  1  0.397  0.057  0.793  1.0
  Sb  Sb22  1  0.348  0.000  0.000  1.0
  Sb  Sb23  1  0.000  0.348  0.000  1.0
  Sb  Sb24  1  0.000  0.652  0.000  1.0
  Sb  Sb25  1  0.652  0.000  0.000  1.0
  Sb  Sb26  1  0.129  0.129  0.257  1.0
  Sb  Sb27  1  0.871  0.871  0.743  1.0
  Sb  Sb28  1  0.373  0.373  0.000  1.0
  Sb  Sb29  1  0.627  0.373  0.000  1.0
  Sb  Sb30  1  0.373  0.627  0.000  1.0
  Sb  Sb31  1  0.627  0.627  0.000  1.0
  Sb  Sb32  1  0.250  0.750  0.500  1.0
  Sb  Sb33  1  0.750  0.250  0.500  1.0
  Sb  Sb34  1  0.531  0.531  0.650  1.0
  Sb  Sb35  1  0.119  0.531  0.650  1.0
  Sb  Sb36  1  0.531  0.119  0.650  1.0
  Sb  Sb37  1  0.881  0.469  0.350  1.0
  Sb  Sb38  1  0.469  0.881  0.350  1.0
  Sb  Sb39  1  0.881  0.881  0.350  1.0
  Sb  Sb40  1  0.469  0.469  0.350  1.0
  Sb  Sb41  1  0.119  0.119  0.650  1.0
[/CIF]
.