The material described by NaMg6Mo crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form NaMg12 cuboctahedra that share corners with four equivalent Na(1)Mg12 cuboctahedra, corners with eight equivalent Mo(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Na2Mg8Mo2 cuboctahedra, faces with two equivalent Na(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Na2Mg8Mo2 cuboctahedra, and faces with four equivalent Mo(1)Mg12 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(2), and two equivalent Mo(1) atoms to form distorted MgNa2Mg8Mo2 cuboctahedra that share corners with twelve equivalent Mg(1)Na2Mg8Mo2 cuboctahedra, edges with four equivalent Na(1)Mg12 cuboctahedra, edges with four equivalent Mo(1)Mg12 cuboctahedra, faces with two equivalent Na(1)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg12 cuboctahedra, and faces with six equivalent Mg(1)Na2Mg8Mo2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Na(1), two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and two equivalent Mo(1) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Na(1), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Mo(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Na(1), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Mo(1) atoms. Mo(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form MoMg12 cuboctahedra that share corners with four equivalent Mo(1)Mg12 cuboctahedra, corners with eight equivalent Na(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Na2Mg8Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg12 cuboctahedra, faces with four equivalent Na(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Na2Mg8Mo2 cuboctahedra. is represented by the CIF file [CIF]
data_NaMg6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.353
_cell_length_b   6.269
_cell_length_c   6.269
_cell_angle_alpha   90.427
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.080
_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
  Mg  Mg0  1  0.500  0.122  0.372  1.0
  Mg  Mg1  1  0.500  0.628  0.878  1.0
  Mg  Mg2  1  0.000  0.392  0.144  1.0
  Mg  Mg3  1  0.000  0.856  0.608  1.0
  Mg  Mg4  1  0.000  0.397  0.603  1.0
  Mg  Mg5  1  0.000  0.851  0.149  1.0
  Mo  Mo6  1  0.500  0.624  0.376  1.0
  Na  Na7  1  0.500  0.129  0.871  1.0
[/CIF]
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The material described by NaMg6Mo crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form NaMg12 cuboctahedra that share corners with four equivalent Na(1)Mg12 cuboctahedra, corners with eight equivalent Mo(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Na2Mg8Mo2 cuboctahedra, faces with two equivalent Na(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Na2Mg8Mo2 cuboctahedra, and faces with four equivalent Mo(1)Mg12 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(2), and two equivalent Mo(1) atoms to form distorted MgNa2Mg8Mo2 cuboctahedra that share corners with twelve equivalent Mg(1)Na2Mg8Mo2 cuboctahedra, edges with four equivalent Na(1)Mg12 cuboctahedra, edges with four equivalent Mo(1)Mg12 cuboctahedra, faces with two equivalent Na(1)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg12 cuboctahedra, and faces with six equivalent Mg(1)Na2Mg8Mo2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Na(1), two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and two equivalent Mo(1) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Na(1), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Mo(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Na(1), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Mo(1) atoms. Mo(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form MoMg12 cuboctahedra that share corners with four equivalent Mo(1)Mg12 cuboctahedra, corners with eight equivalent Na(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Na2Mg8Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg12 cuboctahedra, faces with four equivalent Na(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Na2Mg8Mo2 cuboctahedra. is represented by the CIF file [CIF]
data_NaMg6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.353
_cell_length_b   6.269
_cell_length_c   6.269
_cell_angle_alpha   90.427
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.080
_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
  Mg  Mg0  1  0.500  0.122  0.372  1.0
  Mg  Mg1  1  0.500  0.628  0.878  1.0
  Mg  Mg2  1  0.000  0.392  0.144  1.0
  Mg  Mg3  1  0.000  0.856  0.608  1.0
  Mg  Mg4  1  0.000  0.397  0.603  1.0
  Mg  Mg5  1  0.000  0.851  0.149  1.0
  Mo  Mo6  1  0.500  0.624  0.376  1.0
  Na  Na7  1  0.500  0.129  0.871  1.0
[/CIF]
.