The material described by CaC2 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to eight equivalent C(1) atoms to form CaC8 hexagonal bipyramids that share corners with eight equivalent C(1)Ca4C trigonal bipyramids and edges with twelve equivalent Ca(1)C8 hexagonal bipyramids. C(1) is bonded to four equivalent Ca(1) and one C(1) atom to form distorted CCa4C trigonal bipyramids that share corners with four equivalent Ca(1)C8 hexagonal bipyramids, corners with sixteen equivalent C(1)Ca4C trigonal bipyramids, and edges with six equivalent C(1)Ca4C trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.538
_cell_length_b   3.538
_cell_length_c   3.538
_cell_angle_alpha   86.901
_cell_angle_beta   86.901
_cell_angle_gamma   86.901
_symmetry_Int_Tables_number   1
_cell_volume   44.095
_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  0.598  0.598  0.598  1.0
  C  C2  1  0.402  0.402  0.402  1.0
[/CIF]
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The material described by CaC2 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to eight equivalent C(1) atoms to form CaC8 hexagonal bipyramids that share corners with eight equivalent C(1)Ca4C trigonal bipyramids and edges with twelve equivalent Ca(1)C8 hexagonal bipyramids. C(1) is bonded to four equivalent Ca(1) and one C(1) atom to form distorted CCa4C trigonal bipyramids that share corners with four equivalent Ca(1)C8 hexagonal bipyramids, corners with sixteen equivalent C(1)Ca4C trigonal bipyramids, and edges with six equivalent C(1)Ca4C trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.538
_cell_length_b   3.538
_cell_length_c   3.538
_cell_angle_alpha   86.901
_cell_angle_beta   86.901
_cell_angle_gamma   86.901
_symmetry_Int_Tables_number   1
_cell_volume   44.095
_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  0.598  0.598  0.598  1.0
  C  C2  1  0.402  0.402  0.402  1.0
[/CIF]
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