The material structure described by CaSi2 is hexagonal omega structure structured and crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent Si(1) atoms to form distorted CaSi6 octahedra that share corners with six equivalent Si(1)Ca3Si3 octahedra, edges with six equivalent Ca(1)Si6 octahedra, and edges with six equivalent Si(1)Ca3Si3 octahedra. The corner-sharing octahedral tilt angles are 22°. Si(1) is bonded to three equivalent Ca(1) and three equivalent Si(1) atoms to form distorted SiCa3Si3 octahedra that share corners with three equivalent Ca(1)Si6 octahedra, corners with three equivalent Si(1)Ca3Si3 octahedra, edges with three equivalent Ca(1)Si6 octahedra, and edges with nine equivalent Si(1)Ca3Si3 octahedra. The corner-sharing octahedral tilt angles range from 0-22°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.884
_cell_length_b   3.884
_cell_length_c   4.918
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   64.260
_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
  Si  Si1  1  0.333  0.667  0.416  1.0
  Si  Si2  1  0.667  0.333  0.584  1.0
[/CIF]
.
The material structure described by CaSi2 is hexagonal omega structure structured and crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent Si(1) atoms to form distorted CaSi6 octahedra that share corners with six equivalent Si(1)Ca3Si3 octahedra, edges with six equivalent Ca(1)Si6 octahedra, and edges with six equivalent Si(1)Ca3Si3 octahedra. The corner-sharing octahedral tilt angles are 22°. Si(1) is bonded to three equivalent Ca(1) and three equivalent Si(1) atoms to form distorted SiCa3Si3 octahedra that share corners with three equivalent Ca(1)Si6 octahedra, corners with three equivalent Si(1)Ca3Si3 octahedra, edges with three equivalent Ca(1)Si6 octahedra, and edges with nine equivalent Si(1)Ca3Si3 octahedra. The corner-sharing octahedral tilt angles range from 0-22°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.884
_cell_length_b   3.884
_cell_length_c   4.918
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   64.260
_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
  Si  Si1  1  0.333  0.667  0.416  1.0
  Si  Si2  1  0.667  0.333  0.584  1.0
[/CIF]
.