The material described by NaMgP 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 Mg(1) and four equivalent P(1) atoms. Mg(1) is bonded to four equivalent Na(1) and six equivalent P(1) atoms to form distorted MgNa4P6 tetrahedra that share corners with four equivalent P(1)Na4Mg6 tetrahedra, corners with six equivalent Mg(1)Na4P6 tetrahedra, edges with six equivalent P(1)Na4Mg6 tetrahedra, and faces with twelve equivalent Mg(1)Na4P6 tetrahedra. P(1) is bonded to four equivalent Na(1) and six equivalent Mg(1) atoms to form PNa4Mg6 tetrahedra that share corners with four equivalent Mg(1)Na4P6 tetrahedra, corners with six equivalent P(1)Na4Mg6 tetrahedra, edges with six equivalent Mg(1)Na4P6 tetrahedra, and faces with twelve equivalent P(1)Na4Mg6 tetrahedra. is represented by the CIF file [CIF]
data_NaMgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.474
_cell_length_b   4.474
_cell_length_c   4.474
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   63.327
_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  0.750  0.750  0.750  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  P  P2  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by NaMgP 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 Mg(1) and four equivalent P(1) atoms. Mg(1) is bonded to four equivalent Na(1) and six equivalent P(1) atoms to form distorted MgNa4P6 tetrahedra that share corners with four equivalent P(1)Na4Mg6 tetrahedra, corners with six equivalent Mg(1)Na4P6 tetrahedra, edges with six equivalent P(1)Na4Mg6 tetrahedra, and faces with twelve equivalent Mg(1)Na4P6 tetrahedra. P(1) is bonded to four equivalent Na(1) and six equivalent Mg(1) atoms to form PNa4Mg6 tetrahedra that share corners with four equivalent Mg(1)Na4P6 tetrahedra, corners with six equivalent P(1)Na4Mg6 tetrahedra, edges with six equivalent Mg(1)Na4P6 tetrahedra, and faces with twelve equivalent P(1)Na4Mg6 tetrahedra. is represented by the CIF file [CIF]
data_NaMgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.474
_cell_length_b   4.474
_cell_length_c   4.474
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   63.327
_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  0.750  0.750  0.750  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  P  P2  1  0.000  0.000  0.000  1.0
[/CIF]
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