The structure described by Na2MgAlF7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent F(2) and four equivalent F(3) atoms to form distorted NaF8 hexagonal bipyramids that share edges with two equivalent Na(1)F8 hexagonal bipyramids, edges with four equivalent Na(2)F8 hexagonal bipyramids, edges with two equivalent Mg(1)F6 octahedra, and edges with four equivalent Al(1)F6 octahedra. In the second Na site, Na(2) is bonded to two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms to form NaF8 hexagonal bipyramids that share corners with two equivalent Na(2)F8 hexagonal bipyramids, corners with two equivalent Al(1)F6 octahedra, edges with four equivalent Na(1)F8 hexagonal bipyramids, edges with two equivalent Al(1)F6 octahedra, and edges with four equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles are 51°. Mg(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent Al(1)F6 octahedra, edges with two equivalent Na(1)F8 hexagonal bipyramids, and edges with four equivalent Na(2)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 37-50°. Al(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form AlF6 octahedra that share corners with two equivalent Na(2)F8 hexagonal bipyramids, corners with four equivalent Mg(1)F6 octahedra, edges with two equivalent Na(2)F8 hexagonal bipyramids, and edges with four equivalent Na(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Na(2) and two equivalent Mg(1) atoms. In the second F site, F(2) is bonded to one Na(2), two equivalent Na(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing FNa3Al tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mg(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_Na2MgAlF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.231
_cell_length_b   7.231
_cell_length_c   7.231
_cell_angle_alpha   120.664
_cell_angle_beta   118.157
_cell_angle_gamma   91.037
_symmetry_Int_Tables_number   1
_cell_volume   269.547
_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  0.500  0.500  0.500  1.0
  Na  Na1  1  0.500  0.000  0.000  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Na  Na3  1  0.000  0.000  0.000  1.0
  Mg  Mg4  1  0.000  0.500  0.000  1.0
  Mg  Mg5  1  0.000  0.000  0.500  1.0
  Al  Al6  1  0.000  0.500  0.500  1.0
  Al  Al7  1  0.500  0.000  0.500  1.0
  F  F8  1  0.112  0.250  0.862  1.0
  F  F9  1  0.888  0.750  0.138  1.0
  F  F10  1  0.692  0.413  0.279  1.0
  F  F11  1  0.308  0.587  0.721  1.0
  F  F12  1  0.365  0.087  0.279  1.0
  F  F13  1  0.635  0.913  0.721  1.0
  F  F14  1  0.956  0.572  0.753  1.0
  F  F15  1  0.044  0.798  0.616  1.0
  F  F16  1  0.682  0.298  0.753  1.0
  F  F17  1  0.318  0.072  0.616  1.0
  F  F18  1  0.318  0.702  0.247  1.0
  F  F19  1  0.682  0.928  0.384  1.0
  F  F20  1  0.044  0.428  0.247  1.0
  F  F21  1  0.956  0.202  0.384  1.0
[/CIF]
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The structure described by Na2MgAlF7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent F(2) and four equivalent F(3) atoms to form distorted NaF8 hexagonal bipyramids that share edges with two equivalent Na(1)F8 hexagonal bipyramids, edges with four equivalent Na(2)F8 hexagonal bipyramids, edges with two equivalent Mg(1)F6 octahedra, and edges with four equivalent Al(1)F6 octahedra. In the second Na site, Na(2) is bonded to two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms to form NaF8 hexagonal bipyramids that share corners with two equivalent Na(2)F8 hexagonal bipyramids, corners with two equivalent Al(1)F6 octahedra, edges with four equivalent Na(1)F8 hexagonal bipyramids, edges with two equivalent Al(1)F6 octahedra, and edges with four equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles are 51°. Mg(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent Al(1)F6 octahedra, edges with two equivalent Na(1)F8 hexagonal bipyramids, and edges with four equivalent Na(2)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 37-50°. Al(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form AlF6 octahedra that share corners with two equivalent Na(2)F8 hexagonal bipyramids, corners with four equivalent Mg(1)F6 octahedra, edges with two equivalent Na(2)F8 hexagonal bipyramids, and edges with four equivalent Na(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Na(2) and two equivalent Mg(1) atoms. In the second F site, F(2) is bonded to one Na(2), two equivalent Na(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing FNa3Al tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mg(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_Na2MgAlF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.231
_cell_length_b   7.231
_cell_length_c   7.231
_cell_angle_alpha   120.664
_cell_angle_beta   118.157
_cell_angle_gamma   91.037
_symmetry_Int_Tables_number   1
_cell_volume   269.547
_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  0.500  0.500  0.500  1.0
  Na  Na1  1  0.500  0.000  0.000  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Na  Na3  1  0.000  0.000  0.000  1.0
  Mg  Mg4  1  0.000  0.500  0.000  1.0
  Mg  Mg5  1  0.000  0.000  0.500  1.0
  Al  Al6  1  0.000  0.500  0.500  1.0
  Al  Al7  1  0.500  0.000  0.500  1.0
  F  F8  1  0.112  0.250  0.862  1.0
  F  F9  1  0.888  0.750  0.138  1.0
  F  F10  1  0.692  0.413  0.279  1.0
  F  F11  1  0.308  0.587  0.721  1.0
  F  F12  1  0.365  0.087  0.279  1.0
  F  F13  1  0.635  0.913  0.721  1.0
  F  F14  1  0.956  0.572  0.753  1.0
  F  F15  1  0.044  0.798  0.616  1.0
  F  F16  1  0.682  0.298  0.753  1.0
  F  F17  1  0.318  0.072  0.616  1.0
  F  F18  1  0.318  0.702  0.247  1.0
  F  F19  1  0.682  0.928  0.384  1.0
  F  F20  1  0.044  0.428  0.247  1.0
  F  F21  1  0.956  0.202  0.384  1.0
[/CIF]
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