The material structure described by CaC2 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 9-coordinate geometry to four equivalent C(1) and five equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to four equivalent Ca(1) and one C(1) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to five equivalent Ca(1) and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.831
_cell_length_b   4.059
_cell_length_c   7.416
_cell_angle_alpha   104.911
_cell_angle_beta   90.000
_cell_angle_gamma   118.154
_symmetry_Int_Tables_number   1
_cell_volume   97.239
_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  0.797  0.595  0.754  1.0
  Ca  Ca1  1  0.203  0.405  0.246  1.0
  C  C2  1  0.079  0.158  0.564  1.0
  C  C3  1  0.921  0.842  0.436  1.0
  C  C4  1  0.452  0.904  0.058  1.0
  C  C5  1  0.548  0.096  0.942  1.0
[/CIF]
.
The material structure described by CaC2 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 9-coordinate geometry to four equivalent C(1) and five equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to four equivalent Ca(1) and one C(1) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to five equivalent Ca(1) and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.831
_cell_length_b   4.059
_cell_length_c   7.416
_cell_angle_alpha   104.911
_cell_angle_beta   90.000
_cell_angle_gamma   118.154
_symmetry_Int_Tables_number   1
_cell_volume   97.239
_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  0.797  0.595  0.754  1.0
  Ca  Ca1  1  0.203  0.405  0.246  1.0
  C  C2  1  0.079  0.158  0.564  1.0
  C  C3  1  0.921  0.842  0.436  1.0
  C  C4  1  0.452  0.904  0.058  1.0
  C  C5  1  0.548  0.096  0.942  1.0
[/CIF]
.