The crystal structure described by CaC2 crystallizes in the orthorhombic Immm space group. Ca(1) is bonded in a 10-coordinate geometry to four equivalent C(2) and six equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 8-coordinate geometry to six equivalent Ca(1) and two equivalent C(2) atoms. In the second C site, C(2) is bonded in a 3-coordinate geometry to four equivalent Ca(1), one C(2), and two equivalent C(1) atoms. is represented by the CIF card [CIF]
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.094
_cell_length_b   5.094
_cell_length_c   5.094
_cell_angle_alpha   149.440
_cell_angle_beta   100.643
_cell_angle_gamma   87.376
_symmetry_Int_Tables_number   1
_cell_volume   64.328
_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  0.706  0.706  0.000  1.0
  Ca  Ca1  1  0.294  0.294  0.000  1.0
  C  C2  1  0.232  0.000  0.232  1.0
  C  C3  1  0.768  0.000  0.768  1.0
  C  C4  1  0.888  0.500  0.388  1.0
  C  C5  1  0.112  0.500  0.612  1.0
[/CIF]
.
The crystal structure described by CaC2 crystallizes in the orthorhombic Immm space group. Ca(1) is bonded in a 10-coordinate geometry to four equivalent C(2) and six equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 8-coordinate geometry to six equivalent Ca(1) and two equivalent C(2) atoms. In the second C site, C(2) is bonded in a 3-coordinate geometry to four equivalent Ca(1), one C(2), and two equivalent C(1) atoms. is represented by the CIF card [CIF]
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.094
_cell_length_b   5.094
_cell_length_c   5.094
_cell_angle_alpha   149.440
_cell_angle_beta   100.643
_cell_angle_gamma   87.376
_symmetry_Int_Tables_number   1
_cell_volume   64.328
_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  0.706  0.706  0.000  1.0
  Ca  Ca1  1  0.294  0.294  0.000  1.0
  C  C2  1  0.232  0.000  0.232  1.0
  C  C3  1  0.768  0.000  0.768  1.0
  C  C4  1  0.888  0.500  0.388  1.0
  C  C5  1  0.112  0.500  0.612  1.0
[/CIF]
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