The material structure described by Ca(BC3)2 crystallizes in the orthorhombic Fmm2 space group. Ca(1) is bonded to two equivalent B(1), two equivalent C(3), four equivalent C(1), and four equivalent C(2) atoms to form edge-sharing CaB2C10 cuboctahedra. B(1) is bonded in a trigonal planar geometry to one Ca(1), one C(3), and two equivalent C(2) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one C(2), and two equivalent C(3) atoms. In the second C site, C(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent B(1), and one C(1) atom. In the third C site, C(3) is bonded in a 4-coordinate geometry to one Ca(1), one B(1), and two equivalent C(1) atoms. is represented by the CIF card [CIF]
data_Ca(BC3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.354
_cell_length_b   5.210
_cell_length_c   5.156
_cell_angle_alpha   75.612
_cell_angle_beta   52.578
_cell_angle_gamma   51.810
_symmetry_Int_Tables_number   1
_cell_volume   104.311
_cell_formula_units_Z   1
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  0.001  0.001  0.999  1.0
  B  B1  1  0.091  0.577  0.423  1.0
  B  B2  1  0.577  0.091  0.909  1.0
  C  C3  1  0.082  0.082  0.418  1.0
  C  C4  1  0.582  0.582  0.918  1.0
  C  C5  1  0.921  0.921  0.579  1.0
  C  C6  1  0.421  0.421  0.079  1.0
  C  C7  1  0.914  0.411  0.589  1.0
  C  C8  1  0.411  0.914  0.086  1.0
[/CIF]
.
The material structure described by Ca(BC3)2 crystallizes in the orthorhombic Fmm2 space group. Ca(1) is bonded to two equivalent B(1), two equivalent C(3), four equivalent C(1), and four equivalent C(2) atoms to form edge-sharing CaB2C10 cuboctahedra. B(1) is bonded in a trigonal planar geometry to one Ca(1), one C(3), and two equivalent C(2) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one C(2), and two equivalent C(3) atoms. In the second C site, C(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent B(1), and one C(1) atom. In the third C site, C(3) is bonded in a 4-coordinate geometry to one Ca(1), one B(1), and two equivalent C(1) atoms. is represented by the CIF card [CIF]
data_Ca(BC3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.354
_cell_length_b   5.210
_cell_length_c   5.156
_cell_angle_alpha   75.612
_cell_angle_beta   52.578
_cell_angle_gamma   51.810
_symmetry_Int_Tables_number   1
_cell_volume   104.311
_cell_formula_units_Z   1
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  0.001  0.001  0.999  1.0
  B  B1  1  0.091  0.577  0.423  1.0
  B  B2  1  0.577  0.091  0.909  1.0
  C  C3  1  0.082  0.082  0.418  1.0
  C  C4  1  0.582  0.582  0.918  1.0
  C  C5  1  0.921  0.921  0.579  1.0
  C  C6  1  0.421  0.421  0.079  1.0
  C  C7  1  0.914  0.411  0.589  1.0
  C  C8  1  0.411  0.914  0.086  1.0
[/CIF]
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