The crystal structure described by CaC4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pn-3m space group. The structure is zero-dimensional and consists of two CaC4 clusters. Ca(1) is bonded in a tetrahedral geometry to four equivalent C(1) atoms. C(1) is bonded in a single-bond geometry to one Ca(1) atom. is represented by the CIF card [CIF]
data_CaC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.380
_cell_length_b   9.380
_cell_length_c   9.380
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   825.347
_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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.348  0.348  0.348  1.0
  C  C3  1  0.652  0.652  0.348  1.0
  C  C4  1  0.652  0.348  0.652  1.0
  C  C5  1  0.848  0.848  0.152  1.0
  C  C6  1  0.152  0.152  0.152  1.0
  C  C7  1  0.348  0.652  0.652  1.0
  C  C8  1  0.848  0.152  0.848  1.0
  C  C9  1  0.152  0.848  0.848  1.0
[/CIF]
.
The crystal structure described by CaC4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pn-3m space group. The structure is zero-dimensional and consists of two CaC4 clusters. Ca(1) is bonded in a tetrahedral geometry to four equivalent C(1) atoms. C(1) is bonded in a single-bond geometry to one Ca(1) atom. is represented by the CIF card [CIF]
data_CaC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.380
_cell_length_b   9.380
_cell_length_c   9.380
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   825.347
_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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.348  0.348  0.348  1.0
  C  C3  1  0.652  0.652  0.348  1.0
  C  C4  1  0.652  0.348  0.652  1.0
  C  C5  1  0.848  0.848  0.152  1.0
  C  C6  1  0.152  0.152  0.152  1.0
  C  C7  1  0.348  0.652  0.652  1.0
  C  C8  1  0.848  0.152  0.848  1.0
  C  C9  1  0.152  0.848  0.848  1.0
[/CIF]
.