The structure described by CaC2 is Corundum-like structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent C(1) atoms to form CaC6 octahedra that share corners with six equivalent C(1)Ca3C trigonal pyramids and edges with six equivalent Ca(1)C6 octahedra. C(1) is bonded to three equivalent Ca(1) and one C(1) atom to form distorted CCa3C trigonal pyramids that share corners with three equivalent Ca(1)C6 octahedra, corners with nine equivalent C(1)Ca3C trigonal pyramids, and edges with three equivalent C(1)Ca3C trigonal pyramids. The corner-sharing octahedral tilt angles are 59°. is represented by the CIF file [CIF]
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.889
_cell_length_b   3.889
_cell_length_c   4.547
_cell_angle_alpha   90.000
_cell_angle_beta   64.682
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   51.783
_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  0.000  0.000  0.000  1.0
  C  C1  1  0.894  0.447  0.659  1.0
  C  C2  1  0.106  0.553  0.341  1.0
[/CIF]
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The structure described by CaC2 is Corundum-like structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent C(1) atoms to form CaC6 octahedra that share corners with six equivalent C(1)Ca3C trigonal pyramids and edges with six equivalent Ca(1)C6 octahedra. C(1) is bonded to three equivalent Ca(1) and one C(1) atom to form distorted CCa3C trigonal pyramids that share corners with three equivalent Ca(1)C6 octahedra, corners with nine equivalent C(1)Ca3C trigonal pyramids, and edges with three equivalent C(1)Ca3C trigonal pyramids. The corner-sharing octahedral tilt angles are 59°. is represented by the CIF file [CIF]
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.889
_cell_length_b   3.889
_cell_length_c   4.547
_cell_angle_alpha   90.000
_cell_angle_beta   64.682
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   51.783
_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  0.000  0.000  0.000  1.0
  C  C1  1  0.894  0.447  0.659  1.0
  C  C2  1  0.106  0.553  0.341  1.0
[/CIF]
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