The material described by Ca9B2(CCl2)4 crystallizes in the orthorhombic Cmcm space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 10-coordinate geometry to two equivalent B(1), four equivalent C(1), two equivalent Cl(1), and two equivalent Cl(5) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one B(1), two equivalent C(1), one Cl(1), one Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. In the third Ca site, Ca(3) is bonded to two equivalent C(1), one Cl(1), one Cl(3), one Cl(4), and one Cl(5) atom to form a mixture of edge and corner-sharing CaC2Cl4 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the fourth Ca site, Ca(4) is bonded in a 6-coordinate geometry to two equivalent C(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. B(1) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Ca(2), and two equivalent C(1) atoms. C(1) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(2), one Ca(4), two equivalent Ca(3), and one B(1) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a 4-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), and two equivalent Ca(4) atoms. In the second Cl site, Cl(5) is bonded to two equivalent Ca(1) and four equivalent Ca(3) atoms to form distorted ClCa6 octahedra that share corners with two equivalent Cl(5)Ca6 octahedra, edges with four equivalent Cl(1)Ca4 tetrahedra, and edges with two equivalent Cl(3)Ca5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the third Cl site, Cl(1) is bonded to one Ca(1), one Ca(2), and two equivalent Ca(3) atoms to form ClCa4 tetrahedra that share  a cornercorner with one Cl(1)Ca4 tetrahedra,  a cornercorner with one Cl(2)Ca4 tetrahedra, corners with four equivalent Cl(3)Ca5 trigonal bipyramids, and edges with two equivalent Cl(5)Ca6 octahedra. In the fourth Cl site, Cl(2) is bonded to two equivalent Ca(2) and two equivalent Ca(4) atoms to form ClCa4 tetrahedra that share corners with two equivalent Cl(1)Ca4 tetrahedra, corners with two equivalent Cl(3)Ca5 trigonal bipyramids, and edges with two equivalent Cl(3)Ca5 trigonal bipyramids. In the fifth Cl site, Cl(3) is bonded to one Ca(4), two equivalent Ca(2), and two equivalent Ca(3) atoms to form distorted ClCa5 trigonal bipyramids that share  a cornercorner with one Cl(2)Ca4 tetrahedra, corners with four equivalent Cl(1)Ca4 tetrahedra,  an edgeedge with one Cl(5)Ca6 octahedra,  an edgeedge with one Cl(2)Ca4 tetrahedra, and  an edgeedge with one Cl(3)Ca5 trigonal bipyramid. is represented by the CIF card [CIF]
data_Ca9B2(CCl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.886
_cell_length_b   8.886
_cell_length_c   12.114
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.290
_symmetry_Int_Tables_number   1
_cell_volume   946.604
_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  0.880  0.120  0.750  1.0
  Ca  Ca1  1  0.194  0.434  0.750  1.0
  Ca  Ca2  1  0.668  0.971  0.449  1.0
  Ca  Ca3  1  0.434  0.194  0.250  1.0
  Ca  Ca4  1  0.342  0.658  0.408  1.0
  Ca  Ca5  1  0.332  0.029  0.551  1.0
  Ca  Ca6  1  0.029  0.332  0.051  1.0
  Ca  Ca7  1  0.342  0.658  0.092  1.0
  Ca  Ca8  1  0.806  0.566  0.250  1.0
  Ca  Ca9  1  0.658  0.342  0.908  1.0
  Ca  Ca10  1  0.658  0.342  0.592  1.0
  Ca  Ca11  1  0.120  0.880  0.250  1.0
  Ca  Ca12  1  0.332  0.029  0.949  1.0
  Ca  Ca13  1  0.971  0.668  0.949  1.0
  Ca  Ca14  1  0.029  0.332  0.449  1.0
  Ca  Ca15  1  0.971  0.668  0.551  1.0
  Ca  Ca16  1  0.566  0.806  0.750  1.0
  Ca  Ca17  1  0.668  0.971  0.051  1.0
  B  B18  1  0.915  0.418  0.750  1.0
  B  B19  1  0.085  0.582  0.250  1.0
  B  B20  1  0.418  0.915  0.250  1.0
  B  B21  1  0.582  0.085  0.750  1.0
  C  C22  1  0.063  0.597  0.368  1.0
  C  C23  1  0.937  0.403  0.632  1.0
  C  C24  1  0.063  0.597  0.132  1.0
  C  C25  1  0.597  0.063  0.632  1.0
  C  C26  1  0.403  0.937  0.132  1.0
  C  C27  1  0.937  0.403  0.868  1.0
  C  C28  1  0.403  0.937  0.368  1.0
  C  C29  1  0.597  0.063  0.868  1.0
  Cl  Cl30  1  0.877  0.801  0.750  1.0
  Cl  Cl31  1  0.488  0.512  0.250  1.0
  Cl  Cl32  1  0.801  0.877  0.250  1.0
  Cl  Cl33  1  0.276  0.724  0.879  1.0
  Cl  Cl34  1  0.724  0.276  0.379  1.0
  Cl  Cl35  1  0.199  0.123  0.750  1.0
  Cl  Cl36  1  0.340  0.340  0.500  1.0
  Cl  Cl37  1  0.660  0.660  0.000  1.0
  Cl  Cl38  1  0.340  0.340  0.000  1.0
  Cl  Cl39  1  0.276  0.724  0.621  1.0
  Cl  Cl40  1  0.000  0.000  0.500  1.0
  Cl  Cl41  1  0.660  0.660  0.500  1.0
  Cl  Cl42  1  0.724  0.276  0.121  1.0
  Cl  Cl43  1  0.123  0.199  0.250  1.0
  Cl  Cl44  1  0.512  0.488  0.750  1.0
  Cl  Cl45  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by Ca9B2(CCl2)4 crystallizes in the orthorhombic Cmcm space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 10-coordinate geometry to two equivalent B(1), four equivalent C(1), two equivalent Cl(1), and two equivalent Cl(5) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one B(1), two equivalent C(1), one Cl(1), one Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. In the third Ca site, Ca(3) is bonded to two equivalent C(1), one Cl(1), one Cl(3), one Cl(4), and one Cl(5) atom to form a mixture of edge and corner-sharing CaC2Cl4 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the fourth Ca site, Ca(4) is bonded in a 6-coordinate geometry to two equivalent C(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. B(1) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Ca(2), and two equivalent C(1) atoms. C(1) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(2), one Ca(4), two equivalent Ca(3), and one B(1) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a 4-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), and two equivalent Ca(4) atoms. In the second Cl site, Cl(5) is bonded to two equivalent Ca(1) and four equivalent Ca(3) atoms to form distorted ClCa6 octahedra that share corners with two equivalent Cl(5)Ca6 octahedra, edges with four equivalent Cl(1)Ca4 tetrahedra, and edges with two equivalent Cl(3)Ca5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the third Cl site, Cl(1) is bonded to one Ca(1), one Ca(2), and two equivalent Ca(3) atoms to form ClCa4 tetrahedra that share  a cornercorner with one Cl(1)Ca4 tetrahedra,  a cornercorner with one Cl(2)Ca4 tetrahedra, corners with four equivalent Cl(3)Ca5 trigonal bipyramids, and edges with two equivalent Cl(5)Ca6 octahedra. In the fourth Cl site, Cl(2) is bonded to two equivalent Ca(2) and two equivalent Ca(4) atoms to form ClCa4 tetrahedra that share corners with two equivalent Cl(1)Ca4 tetrahedra, corners with two equivalent Cl(3)Ca5 trigonal bipyramids, and edges with two equivalent Cl(3)Ca5 trigonal bipyramids. In the fifth Cl site, Cl(3) is bonded to one Ca(4), two equivalent Ca(2), and two equivalent Ca(3) atoms to form distorted ClCa5 trigonal bipyramids that share  a cornercorner with one Cl(2)Ca4 tetrahedra, corners with four equivalent Cl(1)Ca4 tetrahedra,  an edgeedge with one Cl(5)Ca6 octahedra,  an edgeedge with one Cl(2)Ca4 tetrahedra, and  an edgeedge with one Cl(3)Ca5 trigonal bipyramid. is represented by the CIF card [CIF]
data_Ca9B2(CCl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.886
_cell_length_b   8.886
_cell_length_c   12.114
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.290
_symmetry_Int_Tables_number   1
_cell_volume   946.604
_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  0.880  0.120  0.750  1.0
  Ca  Ca1  1  0.194  0.434  0.750  1.0
  Ca  Ca2  1  0.668  0.971  0.449  1.0
  Ca  Ca3  1  0.434  0.194  0.250  1.0
  Ca  Ca4  1  0.342  0.658  0.408  1.0
  Ca  Ca5  1  0.332  0.029  0.551  1.0
  Ca  Ca6  1  0.029  0.332  0.051  1.0
  Ca  Ca7  1  0.342  0.658  0.092  1.0
  Ca  Ca8  1  0.806  0.566  0.250  1.0
  Ca  Ca9  1  0.658  0.342  0.908  1.0
  Ca  Ca10  1  0.658  0.342  0.592  1.0
  Ca  Ca11  1  0.120  0.880  0.250  1.0
  Ca  Ca12  1  0.332  0.029  0.949  1.0
  Ca  Ca13  1  0.971  0.668  0.949  1.0
  Ca  Ca14  1  0.029  0.332  0.449  1.0
  Ca  Ca15  1  0.971  0.668  0.551  1.0
  Ca  Ca16  1  0.566  0.806  0.750  1.0
  Ca  Ca17  1  0.668  0.971  0.051  1.0
  B  B18  1  0.915  0.418  0.750  1.0
  B  B19  1  0.085  0.582  0.250  1.0
  B  B20  1  0.418  0.915  0.250  1.0
  B  B21  1  0.582  0.085  0.750  1.0
  C  C22  1  0.063  0.597  0.368  1.0
  C  C23  1  0.937  0.403  0.632  1.0
  C  C24  1  0.063  0.597  0.132  1.0
  C  C25  1  0.597  0.063  0.632  1.0
  C  C26  1  0.403  0.937  0.132  1.0
  C  C27  1  0.937  0.403  0.868  1.0
  C  C28  1  0.403  0.937  0.368  1.0
  C  C29  1  0.597  0.063  0.868  1.0
  Cl  Cl30  1  0.877  0.801  0.750  1.0
  Cl  Cl31  1  0.488  0.512  0.250  1.0
  Cl  Cl32  1  0.801  0.877  0.250  1.0
  Cl  Cl33  1  0.276  0.724  0.879  1.0
  Cl  Cl34  1  0.724  0.276  0.379  1.0
  Cl  Cl35  1  0.199  0.123  0.750  1.0
  Cl  Cl36  1  0.340  0.340  0.500  1.0
  Cl  Cl37  1  0.660  0.660  0.000  1.0
  Cl  Cl38  1  0.340  0.340  0.000  1.0
  Cl  Cl39  1  0.276  0.724  0.621  1.0
  Cl  Cl40  1  0.000  0.000  0.500  1.0
  Cl  Cl41  1  0.660  0.660  0.500  1.0
  Cl  Cl42  1  0.724  0.276  0.121  1.0
  Cl  Cl43  1  0.123  0.199  0.250  1.0
  Cl  Cl44  1  0.512  0.488  0.750  1.0
  Cl  Cl45  1  0.000  0.000  0.000  1.0
[/CIF]
.