The material described by NaMg3 crystallizes in the orthorhombic Pmm2 space group. Na(1) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form NaNa2Mg10 cuboctahedra that share corners with eight equivalent Mg(1)Na4Mg8 cuboctahedra, corners with ten equivalent Na(1)Na2Mg10 cuboctahedra, edges with two equivalent Na(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(3)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na4Mg8 cuboctahedra, edges with eight equivalent Mg(2)Na4Mg8 cuboctahedra, faces with four equivalent Na(1)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na4Mg8 cuboctahedra, faces with four equivalent Mg(2)Na4Mg8 cuboctahedra, and faces with eight equivalent Mg(3)Na2Mg10 cuboctahedra. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Na(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms to form MgNa4Mg8 cuboctahedra that share corners with eight equivalent Na(1)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Na4Mg8 cuboctahedra, edges with two equivalent Mg(1)Na4Mg8 cuboctahedra, edges with four equivalent Na(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(2)Na4Mg8 cuboctahedra, edges with eight equivalent Mg(3)Na2Mg10 cuboctahedra, faces with four equivalent Na(1)Na2Mg10 cuboctahedra, faces with four equivalent Mg(3)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na4Mg8 cuboctahedra, and faces with eight equivalent Mg(2)Na4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Na(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms to form distorted MgNa4Mg8 cuboctahedra that share corners with eight equivalent Mg(3)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(2)Na4Mg8 cuboctahedra, edges with two equivalent Mg(2)Na4Mg8 cuboctahedra, edges with four equivalent Mg(3)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na4Mg8 cuboctahedra, edges with eight equivalent Na(1)Na2Mg10 cuboctahedra, faces with four equivalent Na(1)Na2Mg10 cuboctahedra, faces with four equivalent Mg(3)Na2Mg10 cuboctahedra, faces with four equivalent Mg(2)Na4Mg8 cuboctahedra, and faces with eight equivalent Mg(1)Na4Mg8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with eight equivalent Mg(2)Na4Mg8 cuboctahedra, corners with ten equivalent Mg(3)Na2Mg10 cuboctahedra, edges with two equivalent Mg(3)Na2Mg10 cuboctahedra, edges with four equivalent Na(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(2)Na4Mg8 cuboctahedra, edges with eight equivalent Mg(1)Na4Mg8 cuboctahedra, faces with four equivalent Mg(3)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na4Mg8 cuboctahedra, faces with four equivalent Mg(2)Na4Mg8 cuboctahedra, and faces with eight equivalent Na(1)Na2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_NaMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.163
_cell_length_b   5.434
_cell_length_c   5.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.580
_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  0.000  0.160  1.0
  Mg  Mg1  1  0.000  0.000  0.661  1.0
  Mg  Mg2  1  0.000  0.500  0.350  1.0
  Mg  Mg3  1  0.500  0.500  0.828  1.0
[/CIF]
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The material described by NaMg3 crystallizes in the orthorhombic Pmm2 space group. Na(1) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form NaNa2Mg10 cuboctahedra that share corners with eight equivalent Mg(1)Na4Mg8 cuboctahedra, corners with ten equivalent Na(1)Na2Mg10 cuboctahedra, edges with two equivalent Na(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(3)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na4Mg8 cuboctahedra, edges with eight equivalent Mg(2)Na4Mg8 cuboctahedra, faces with four equivalent Na(1)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na4Mg8 cuboctahedra, faces with four equivalent Mg(2)Na4Mg8 cuboctahedra, and faces with eight equivalent Mg(3)Na2Mg10 cuboctahedra. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Na(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms to form MgNa4Mg8 cuboctahedra that share corners with eight equivalent Na(1)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Na4Mg8 cuboctahedra, edges with two equivalent Mg(1)Na4Mg8 cuboctahedra, edges with four equivalent Na(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(2)Na4Mg8 cuboctahedra, edges with eight equivalent Mg(3)Na2Mg10 cuboctahedra, faces with four equivalent Na(1)Na2Mg10 cuboctahedra, faces with four equivalent Mg(3)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na4Mg8 cuboctahedra, and faces with eight equivalent Mg(2)Na4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Na(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms to form distorted MgNa4Mg8 cuboctahedra that share corners with eight equivalent Mg(3)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(2)Na4Mg8 cuboctahedra, edges with two equivalent Mg(2)Na4Mg8 cuboctahedra, edges with four equivalent Mg(3)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na4Mg8 cuboctahedra, edges with eight equivalent Na(1)Na2Mg10 cuboctahedra, faces with four equivalent Na(1)Na2Mg10 cuboctahedra, faces with four equivalent Mg(3)Na2Mg10 cuboctahedra, faces with four equivalent Mg(2)Na4Mg8 cuboctahedra, and faces with eight equivalent Mg(1)Na4Mg8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with eight equivalent Mg(2)Na4Mg8 cuboctahedra, corners with ten equivalent Mg(3)Na2Mg10 cuboctahedra, edges with two equivalent Mg(3)Na2Mg10 cuboctahedra, edges with four equivalent Na(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(2)Na4Mg8 cuboctahedra, edges with eight equivalent Mg(1)Na4Mg8 cuboctahedra, faces with four equivalent Mg(3)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na4Mg8 cuboctahedra, faces with four equivalent Mg(2)Na4Mg8 cuboctahedra, and faces with eight equivalent Na(1)Na2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_NaMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.163
_cell_length_b   5.434
_cell_length_c   5.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.580
_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  0.000  0.160  1.0
  Mg  Mg1  1  0.000  0.000  0.661  1.0
  Mg  Mg2  1  0.000  0.500  0.350  1.0
  Mg  Mg3  1  0.500  0.500  0.828  1.0
[/CIF]
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