The compound described by CaC2 is alpha-derived structured and crystallizes in the cubic Pn-3m space group. Ca(1) is bonded to six equivalent C(1) atoms to form distorted edge-sharing CaC6 octahedra. C(1) is bonded in a distorted hexagonal planar geometry to three equivalent Ca(1) and three equivalent C(1) atoms. is represented by the CIF card [CIF]
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.081
_cell_length_b   6.081
_cell_length_c   6.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.838
_cell_formula_units_Z   4
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  0.750  0.750  0.250  1.0
  Ca  Ca1  1  0.250  0.250  0.250  1.0
  Ca  Ca2  1  0.750  0.250  0.750  1.0
  Ca  Ca3  1  0.250  0.750  0.750  1.0
  C  C4  1  0.091  0.909  0.091  1.0
  C  C5  1  0.591  0.409  0.409  1.0
  C  C6  1  0.591  0.591  0.591  1.0
  C  C7  1  0.909  0.091  0.091  1.0
  C  C8  1  0.091  0.091  0.909  1.0
  C  C9  1  0.409  0.409  0.591  1.0
  C  C10  1  0.909  0.909  0.909  1.0
  C  C11  1  0.409  0.591  0.409  1.0
[/CIF]
.
The compound described by CaC2 is alpha-derived structured and crystallizes in the cubic Pn-3m space group. Ca(1) is bonded to six equivalent C(1) atoms to form distorted edge-sharing CaC6 octahedra. C(1) is bonded in a distorted hexagonal planar geometry to three equivalent Ca(1) and three equivalent C(1) atoms. is represented by the CIF card [CIF]
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.081
_cell_length_b   6.081
_cell_length_c   6.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.838
_cell_formula_units_Z   4
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  0.750  0.750  0.250  1.0
  Ca  Ca1  1  0.250  0.250  0.250  1.0
  Ca  Ca2  1  0.750  0.250  0.750  1.0
  Ca  Ca3  1  0.250  0.750  0.750  1.0
  C  C4  1  0.091  0.909  0.091  1.0
  C  C5  1  0.591  0.409  0.409  1.0
  C  C6  1  0.591  0.591  0.591  1.0
  C  C7  1  0.909  0.091  0.091  1.0
  C  C8  1  0.091  0.091  0.909  1.0
  C  C9  1  0.409  0.409  0.591  1.0
  C  C10  1  0.909  0.909  0.909  1.0
  C  C11  1  0.409  0.591  0.409  1.0
[/CIF]
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