The material structure described by Na2CaSi crystallizes in the cubic F-43m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to four equivalent Na(2) and four equivalent Ca(1) atoms. In the second Na site, Na(2) is bonded to four equivalent Na(1) and four equivalent Si(1) atoms to form distorted edge-sharing NaNa4Si4 tetrahedra. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent Na(1) and four equivalent Si(1) atoms. Si(1) is bonded in a body-centered cubic geometry to four equivalent Na(2) and four equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_Na2CaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.189
_cell_length_b   5.189
_cell_length_c   5.189
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   98.801
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Na  Na1  1  0.750  0.750  0.750  1.0
  Ca  Ca2  1  0.250  0.250  0.250  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by Na2CaSi crystallizes in the cubic F-43m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to four equivalent Na(2) and four equivalent Ca(1) atoms. In the second Na site, Na(2) is bonded to four equivalent Na(1) and four equivalent Si(1) atoms to form distorted edge-sharing NaNa4Si4 tetrahedra. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent Na(1) and four equivalent Si(1) atoms. Si(1) is bonded in a body-centered cubic geometry to four equivalent Na(2) and four equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_Na2CaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.189
_cell_length_b   5.189
_cell_length_c   5.189
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   98.801
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Na  Na1  1  0.750  0.750  0.750  1.0
  Ca  Ca2  1  0.250  0.250  0.250  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
[/CIF]
.