The structure described by NaMg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to twelve Mg(1,1) atoms to form NaMg12 cuboctahedra that share corners with six equivalent Na(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Na4Mg8 cuboctahedra; edges with eighteen Mg(1,1)Na4Mg8 cuboctahedra; faces with eight equivalent Na(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1)Na4Mg8 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Na(1) and eight Mg(1,1) atoms to form distorted MgNa4Mg8 cuboctahedra that share corners with four equivalent Na(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Na4Mg8 cuboctahedra; edges with six equivalent Na(1)Mg12 cuboctahedra; edges with twelve Mg(1,1)Na4Mg8 cuboctahedra; faces with four equivalent Na(1)Mg12 cuboctahedra; and faces with sixteen Mg(1,1)Na4Mg8 cuboctahedra. In the second Mg site, Mg(1) is bonded to four equivalent Na(1) and eight equivalent Mg(1) atoms to form distorted MgNa4Mg8 cuboctahedra that share corners with four equivalent Na(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Na4Mg8 cuboctahedra; edges with six equivalent Na(1)Mg12 cuboctahedra; edges with twelve equivalent Mg(1)Na4Mg8 cuboctahedra; faces with four equivalent Na(1)Mg12 cuboctahedra; and faces with sixteen Mg(1,1)Na4Mg8 cuboctahedra. is represented by the CIF file [CIF]
data_NaMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.607
_cell_length_b   6.607
_cell_length_c   5.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   203.261
_cell_formula_units_Z   2
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  0.667  0.333  0.250  1.0
  Na  Na1  1  0.333  0.667  0.750  1.0
  Mg  Mg2  1  0.163  0.325  0.250  1.0
  Mg  Mg3  1  0.163  0.837  0.250  1.0
  Mg  Mg4  1  0.675  0.837  0.250  1.0
  Mg  Mg5  1  0.325  0.163  0.750  1.0
  Mg  Mg6  1  0.837  0.163  0.750  1.0
  Mg  Mg7  1  0.837  0.675  0.750  1.0
[/CIF]
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The structure described by NaMg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to twelve Mg(1,1) atoms to form NaMg12 cuboctahedra that share corners with six equivalent Na(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Na4Mg8 cuboctahedra; edges with eighteen Mg(1,1)Na4Mg8 cuboctahedra; faces with eight equivalent Na(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1)Na4Mg8 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Na(1) and eight Mg(1,1) atoms to form distorted MgNa4Mg8 cuboctahedra that share corners with four equivalent Na(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Na4Mg8 cuboctahedra; edges with six equivalent Na(1)Mg12 cuboctahedra; edges with twelve Mg(1,1)Na4Mg8 cuboctahedra; faces with four equivalent Na(1)Mg12 cuboctahedra; and faces with sixteen Mg(1,1)Na4Mg8 cuboctahedra. In the second Mg site, Mg(1) is bonded to four equivalent Na(1) and eight equivalent Mg(1) atoms to form distorted MgNa4Mg8 cuboctahedra that share corners with four equivalent Na(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Na4Mg8 cuboctahedra; edges with six equivalent Na(1)Mg12 cuboctahedra; edges with twelve equivalent Mg(1)Na4Mg8 cuboctahedra; faces with four equivalent Na(1)Mg12 cuboctahedra; and faces with sixteen Mg(1,1)Na4Mg8 cuboctahedra. is represented by the CIF file [CIF]
data_NaMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.607
_cell_length_b   6.607
_cell_length_c   5.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   203.261
_cell_formula_units_Z   2
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  0.667  0.333  0.250  1.0
  Na  Na1  1  0.333  0.667  0.750  1.0
  Mg  Mg2  1  0.163  0.325  0.250  1.0
  Mg  Mg3  1  0.163  0.837  0.250  1.0
  Mg  Mg4  1  0.675  0.837  0.250  1.0
  Mg  Mg5  1  0.325  0.163  0.750  1.0
  Mg  Mg6  1  0.837  0.163  0.750  1.0
  Mg  Mg7  1  0.837  0.675  0.750  1.0
[/CIF]
.