The material structure described by Na6MgCl8 crystallizes in the cubic Fm-3m space group. Na(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form NaCl6 octahedra that share corners with six equivalent Na(1)Cl6 octahedra, edges with two equivalent Mg(1)Cl6 octahedra, and edges with eight equivalent Na(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Mg(1) is bonded to six equivalent Cl(2) atoms to form MgCl6 octahedra that share edges with twelve equivalent Na(1)Cl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to six equivalent Na(1) atoms to form ClNa6 octahedra that share corners with six equivalent Cl(1)Na6 octahedra and edges with twelve equivalent Cl(2)Na4Mg square pyramids. The corner-sharing octahedra are not tilted. In the second Cl site, Cl(2) is bonded to four equivalent Na(1) and one Mg(1) atom to form ClNa4Mg square pyramids that share corners with nine equivalent Cl(2)Na4Mg square pyramids, edges with four equivalent Cl(1)Na6 octahedra, and edges with four equivalent Cl(2)Na4Mg square pyramids. is represented by the CIF card [CIF]
data_Na6MgCl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.872
_cell_length_b   7.872
_cell_length_c   7.872
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   344.972
_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  0.000  1.0
  Na  Na1  1  0.000  0.500  0.500  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.500  0.000  0.500  1.0
  Na  Na4  1  0.000  0.000  0.500  1.0
  Na  Na5  1  0.500  0.500  0.000  1.0
  Mg  Mg6  1  0.000  0.000  0.000  1.0
  Cl  Cl7  1  0.250  0.250  0.250  1.0
  Cl  Cl8  1  0.750  0.750  0.750  1.0
  Cl  Cl9  1  0.773  0.227  0.227  1.0
  Cl  Cl10  1  0.227  0.773  0.773  1.0
  Cl  Cl11  1  0.227  0.773  0.227  1.0
  Cl  Cl12  1  0.773  0.227  0.773  1.0
  Cl  Cl13  1  0.227  0.227  0.773  1.0
  Cl  Cl14  1  0.773  0.773  0.227  1.0
[/CIF]
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The material structure described by Na6MgCl8 crystallizes in the cubic Fm-3m space group. Na(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form NaCl6 octahedra that share corners with six equivalent Na(1)Cl6 octahedra, edges with two equivalent Mg(1)Cl6 octahedra, and edges with eight equivalent Na(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Mg(1) is bonded to six equivalent Cl(2) atoms to form MgCl6 octahedra that share edges with twelve equivalent Na(1)Cl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to six equivalent Na(1) atoms to form ClNa6 octahedra that share corners with six equivalent Cl(1)Na6 octahedra and edges with twelve equivalent Cl(2)Na4Mg square pyramids. The corner-sharing octahedra are not tilted. In the second Cl site, Cl(2) is bonded to four equivalent Na(1) and one Mg(1) atom to form ClNa4Mg square pyramids that share corners with nine equivalent Cl(2)Na4Mg square pyramids, edges with four equivalent Cl(1)Na6 octahedra, and edges with four equivalent Cl(2)Na4Mg square pyramids. is represented by the CIF card [CIF]
data_Na6MgCl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.872
_cell_length_b   7.872
_cell_length_c   7.872
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   344.972
_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  0.000  1.0
  Na  Na1  1  0.000  0.500  0.500  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.500  0.000  0.500  1.0
  Na  Na4  1  0.000  0.000  0.500  1.0
  Na  Na5  1  0.500  0.500  0.000  1.0
  Mg  Mg6  1  0.000  0.000  0.000  1.0
  Cl  Cl7  1  0.250  0.250  0.250  1.0
  Cl  Cl8  1  0.750  0.750  0.750  1.0
  Cl  Cl9  1  0.773  0.227  0.227  1.0
  Cl  Cl10  1  0.227  0.773  0.773  1.0
  Cl  Cl11  1  0.227  0.773  0.227  1.0
  Cl  Cl12  1  0.773  0.227  0.773  1.0
  Cl  Cl13  1  0.227  0.227  0.773  1.0
  Cl  Cl14  1  0.773  0.773  0.227  1.0
[/CIF]
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