The crystal structure described by NaMg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form NaMg12 cuboctahedra that share corners with four equivalent Na(1)Mg12 cuboctahedra, corners with eight equivalent Mg(1)Na4Mg8 cuboctahedra, edges with eight equivalent Na(1)Mg12 cuboctahedra, edges with sixteen equivalent Mg(2)Na4Mg8 cuboctahedra, faces with four equivalent Na(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Na4Mg8 cuboctahedra, and faces with eight equivalent Mg(2)Na4Mg8 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Na(1) and eight equivalent Mg(2) atoms to form MgNa4Mg8 cuboctahedra that share corners with four equivalent Mg(1)Na4Mg8 cuboctahedra, corners with eight equivalent Na(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Na4Mg8 cuboctahedra, edges with sixteen equivalent Mg(2)Na4Mg8 cuboctahedra, faces with four equivalent Mg(1)Na4Mg8 cuboctahedra, faces with six equivalent Na(1)Mg12 cuboctahedra, and faces with eight equivalent Mg(2)Na4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Na(1), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgNa4Mg8 cuboctahedra that share corners with twelve equivalent Mg(2)Na4Mg8 cuboctahedra, edges with eight equivalent Na(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Na4Mg8 cuboctahedra, edges with eight equivalent Mg(2)Na4Mg8 cuboctahedra, faces with four equivalent Na(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Na4Mg8 cuboctahedra, and faces with ten equivalent Mg(2)Na4Mg8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.642
_cell_length_b   5.642
_cell_length_c   5.642
_cell_angle_alpha   130.554
_cell_angle_beta   130.554
_cell_angle_gamma   72.522
_symmetry_Int_Tables_number   1
_cell_volume   101.324
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.750  0.250  0.500  1.0
  Mg  Mg3  1  0.250  0.750  0.500  1.0
[/CIF]
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The crystal structure described by NaMg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form NaMg12 cuboctahedra that share corners with four equivalent Na(1)Mg12 cuboctahedra, corners with eight equivalent Mg(1)Na4Mg8 cuboctahedra, edges with eight equivalent Na(1)Mg12 cuboctahedra, edges with sixteen equivalent Mg(2)Na4Mg8 cuboctahedra, faces with four equivalent Na(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Na4Mg8 cuboctahedra, and faces with eight equivalent Mg(2)Na4Mg8 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Na(1) and eight equivalent Mg(2) atoms to form MgNa4Mg8 cuboctahedra that share corners with four equivalent Mg(1)Na4Mg8 cuboctahedra, corners with eight equivalent Na(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Na4Mg8 cuboctahedra, edges with sixteen equivalent Mg(2)Na4Mg8 cuboctahedra, faces with four equivalent Mg(1)Na4Mg8 cuboctahedra, faces with six equivalent Na(1)Mg12 cuboctahedra, and faces with eight equivalent Mg(2)Na4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Na(1), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgNa4Mg8 cuboctahedra that share corners with twelve equivalent Mg(2)Na4Mg8 cuboctahedra, edges with eight equivalent Na(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Na4Mg8 cuboctahedra, edges with eight equivalent Mg(2)Na4Mg8 cuboctahedra, faces with four equivalent Na(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Na4Mg8 cuboctahedra, and faces with ten equivalent Mg(2)Na4Mg8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.642
_cell_length_b   5.642
_cell_length_c   5.642
_cell_angle_alpha   130.554
_cell_angle_beta   130.554
_cell_angle_gamma   72.522
_symmetry_Int_Tables_number   1
_cell_volume   101.324
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.750  0.250  0.500  1.0
  Mg  Mg3  1  0.250  0.750  0.500  1.0
[/CIF]
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