The structure described by CaB2C2 crystallizes in the tetragonal I4/mcm space group. Ca(1) is bonded in a 16-coordinate geometry to eight equivalent B(1) and eight equivalent C(1) atoms. B(1) is bonded in a 3-coordinate geometry to four equivalent Ca(1) and three equivalent C(1) atoms. C(1) is bonded in a 3-coordinate geometry to four equivalent Ca(1) and three equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Ca(BC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.293
_cell_length_b   5.293
_cell_length_c   5.293
_cell_angle_alpha   91.191
_cell_angle_beta   119.315
_cell_angle_gamma   119.315
_symmetry_Int_Tables_number   1
_cell_volume   105.945
_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  0.000  0.750  0.750  1.0
  Ca  Ca1  1  0.000  0.250  0.250  1.0
  B  B2  1  0.223  0.362  0.862  1.0
  B  B3  1  0.500  0.862  0.638  1.0
  B  B4  1  0.500  0.138  0.362  1.0
  B  B5  1  0.777  0.638  0.138  1.0
  C  C6  1  0.500  0.660  0.840  1.0
  C  C7  1  0.819  0.160  0.660  1.0
  C  C8  1  0.500  0.340  0.160  1.0
  C  C9  1  0.181  0.840  0.340  1.0
[/CIF]
.
The structure described by CaB2C2 crystallizes in the tetragonal I4/mcm space group. Ca(1) is bonded in a 16-coordinate geometry to eight equivalent B(1) and eight equivalent C(1) atoms. B(1) is bonded in a 3-coordinate geometry to four equivalent Ca(1) and three equivalent C(1) atoms. C(1) is bonded in a 3-coordinate geometry to four equivalent Ca(1) and three equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Ca(BC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.293
_cell_length_b   5.293
_cell_length_c   5.293
_cell_angle_alpha   91.191
_cell_angle_beta   119.315
_cell_angle_gamma   119.315
_symmetry_Int_Tables_number   1
_cell_volume   105.945
_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  0.000  0.750  0.750  1.0
  Ca  Ca1  1  0.000  0.250  0.250  1.0
  B  B2  1  0.223  0.362  0.862  1.0
  B  B3  1  0.500  0.862  0.638  1.0
  B  B4  1  0.500  0.138  0.362  1.0
  B  B5  1  0.777  0.638  0.138  1.0
  C  C6  1  0.500  0.660  0.840  1.0
  C  C7  1  0.819  0.160  0.660  1.0
  C  C8  1  0.500  0.340  0.160  1.0
  C  C9  1  0.181  0.840  0.340  1.0
[/CIF]
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