The compound described by Na2MgGaF7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms to form distorted NaF8 hexagonal bipyramids that share corners with two equivalent Na(1)F8 hexagonal bipyramids, corners with two equivalent Ga(1)F6 octahedra, edges with two equivalent Ga(1)F6 octahedra, and edges with four equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Na site, Na(2) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Mg(1) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent Ga(1)F6 octahedra, and edges with four equivalent Na(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 40-46°. Ga(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form GaF6 octahedra that share corners with two equivalent Na(1)F8 hexagonal bipyramids, corners with four equivalent Mg(1)F6 octahedra, and edges with two equivalent Na(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 40°. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Na(1), two equivalent Na(2), and one Ga(1) atom to form a mixture of distorted edge and corner-sharing FNa3Ga tetrahedra. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mg(1), and one Ga(1) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to two equivalent Na(1) and two equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_Na2MgGaF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.348
_cell_length_c   7.348
_cell_angle_alpha   121.031
_cell_angle_beta   118.460
_cell_angle_gamma   90.455
_symmetry_Int_Tables_number   1
_cell_volume   281.474
_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  0.000  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Mg  Mg5  1  0.500  0.000  0.000  1.0
  Ga  Ga6  1  0.000  0.500  0.500  1.0
  Ga  Ga7  1  0.500  0.000  0.500  1.0
  F  F8  1  0.863  0.591  0.273  1.0
  F  F9  1  0.182  0.909  0.273  1.0
  F  F10  1  0.182  0.810  0.762  1.0
  F  F11  1  0.452  0.690  0.372  1.0
  F  F12  1  0.452  0.080  0.762  1.0
  F  F13  1  0.182  0.420  0.372  1.0
  F  F14  1  0.818  0.580  0.628  1.0
  F  F15  1  0.548  0.920  0.238  1.0
  F  F16  1  0.548  0.310  0.628  1.0
  F  F17  1  0.818  0.190  0.238  1.0
  F  F18  1  0.399  0.250  0.149  1.0
  F  F19  1  0.137  0.409  0.727  1.0
  F  F20  1  0.818  0.091  0.727  1.0
  F  F21  1  0.601  0.750  0.851  1.0
[/CIF]
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The compound described by Na2MgGaF7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms to form distorted NaF8 hexagonal bipyramids that share corners with two equivalent Na(1)F8 hexagonal bipyramids, corners with two equivalent Ga(1)F6 octahedra, edges with two equivalent Ga(1)F6 octahedra, and edges with four equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Na site, Na(2) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Mg(1) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent Ga(1)F6 octahedra, and edges with four equivalent Na(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 40-46°. Ga(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form GaF6 octahedra that share corners with two equivalent Na(1)F8 hexagonal bipyramids, corners with four equivalent Mg(1)F6 octahedra, and edges with two equivalent Na(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 40°. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Na(1), two equivalent Na(2), and one Ga(1) atom to form a mixture of distorted edge and corner-sharing FNa3Ga tetrahedra. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mg(1), and one Ga(1) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to two equivalent Na(1) and two equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_Na2MgGaF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.348
_cell_length_c   7.348
_cell_angle_alpha   121.031
_cell_angle_beta   118.460
_cell_angle_gamma   90.455
_symmetry_Int_Tables_number   1
_cell_volume   281.474
_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  0.000  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Mg  Mg5  1  0.500  0.000  0.000  1.0
  Ga  Ga6  1  0.000  0.500  0.500  1.0
  Ga  Ga7  1  0.500  0.000  0.500  1.0
  F  F8  1  0.863  0.591  0.273  1.0
  F  F9  1  0.182  0.909  0.273  1.0
  F  F10  1  0.182  0.810  0.762  1.0
  F  F11  1  0.452  0.690  0.372  1.0
  F  F12  1  0.452  0.080  0.762  1.0
  F  F13  1  0.182  0.420  0.372  1.0
  F  F14  1  0.818  0.580  0.628  1.0
  F  F15  1  0.548  0.920  0.238  1.0
  F  F16  1  0.548  0.310  0.628  1.0
  F  F17  1  0.818  0.190  0.238  1.0
  F  F18  1  0.399  0.250  0.149  1.0
  F  F19  1  0.137  0.409  0.727  1.0
  F  F20  1  0.818  0.091  0.727  1.0
  F  F21  1  0.601  0.750  0.851  1.0
[/CIF]
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