The material structure described by NaCaSb is half-Heusler structured and crystallizes in the cubic F-43m space group. Na(1) is bonded in a body-centered cubic geometry to four equivalent Ca(1) and four equivalent Sb(1) atoms. Ca(1) is bonded in a distorted q6 geometry to four equivalent Na(1) and six equivalent Sb(1) atoms. Sb(1) is bonded to four equivalent Na(1) and six equivalent Ca(1) atoms to form a mixture of distorted face and corner-sharing SbNa4Ca6 tetrahedra. is represented by the CIF file [CIF]
data_NaCaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.025
_cell_length_b   5.025
_cell_length_c   5.025
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   89.732
_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  0.250  0.250  0.250  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  Sb  Sb2  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by NaCaSb is half-Heusler structured and crystallizes in the cubic F-43m space group. Na(1) is bonded in a body-centered cubic geometry to four equivalent Ca(1) and four equivalent Sb(1) atoms. Ca(1) is bonded in a distorted q6 geometry to four equivalent Na(1) and six equivalent Sb(1) atoms. Sb(1) is bonded to four equivalent Na(1) and six equivalent Ca(1) atoms to form a mixture of distorted face and corner-sharing SbNa4Ca6 tetrahedra. is represented by the CIF file [CIF]
data_NaCaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.025
_cell_length_b   5.025
_cell_length_c   5.025
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   89.732
_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  0.250  0.250  0.250  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  Sb  Sb2  1  0.000  0.000  0.000  1.0
[/CIF]
.