The material described by Na2MgInF7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Na site, Na(2) is bonded to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form distorted NaF7 pentagonal bipyramids that share corners with two equivalent Mg(1)F6 octahedra, corners with two equivalent In(1)F6 octahedra, edges with two equivalent Mg(1)F6 octahedra, and edges with two equivalent In(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. Mg(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent In(1)F6 octahedra, corners with two equivalent Na(2)F7 pentagonal bipyramids, and edges with two equivalent Na(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 32-56°. In(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form InF6 octahedra that share corners with four equivalent Mg(1)F6 octahedra, corners with two equivalent Na(2)F7 pentagonal bipyramids, and edges with two equivalent Na(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-56°. There are five inequivalent F sites. In the first F site, F(3) is bonded to one Na(2), two equivalent Na(1), and one In(1) atom to form a mixture of edge and corner-sharing FNa3In tetrahedra. In the second F site, F(4) is bonded to one Na(2), two equivalent Na(1), and one In(1) atom to form a mixture of edge and corner-sharing FNa3In tetrahedra. In the third F site, F(5) is bonded in a 3-coordinate geometry to one Na(2) and two equivalent Mg(1) atoms. In the fourth F site, F(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), one Mg(1), and one In(1) atom. In the fifth F site, F(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mg(1), and one In(1) atom. is represented by the CIF file [CIF]
data_Na2MgInF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.462
_cell_length_b   7.676
_cell_length_c   10.622
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   608.385
_cell_formula_units_Z   4
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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.000  0.000  1.0
  Na  Na2  1  0.000  0.500  0.500  1.0
  Na  Na3  1  0.500  0.500  0.500  1.0
  Na  Na4  1  0.250  0.233  0.272  1.0
  Na  Na5  1  0.250  0.267  0.772  1.0
  Na  Na6  1  0.750  0.733  0.228  1.0
  Na  Na7  1  0.750  0.767  0.728  1.0
  Mg  Mg8  1  0.500  0.000  0.500  1.0
  Mg  Mg9  1  0.500  0.500  0.000  1.0
  Mg  Mg10  1  0.000  0.000  0.500  1.0
  Mg  Mg11  1  0.000  0.500  0.000  1.0
  In  In12  1  0.250  0.750  0.263  1.0
  In  In13  1  0.750  0.250  0.737  1.0
  In  In14  1  0.750  0.250  0.237  1.0
  In  In15  1  0.250  0.750  0.763  1.0
  F  F16  1  0.452  0.675  0.135  1.0
  F  F17  1  0.952  0.325  0.865  1.0
  F  F18  1  0.548  0.175  0.365  1.0
  F  F19  1  0.048  0.825  0.635  1.0
  F  F20  1  0.548  0.325  0.865  1.0
  F  F21  1  0.048  0.675  0.135  1.0
  F  F22  1  0.452  0.825  0.635  1.0
  F  F23  1  0.952  0.175  0.365  1.0
  F  F24  1  0.519  0.300  0.125  1.0
  F  F25  1  0.019  0.700  0.875  1.0
  F  F26  1  0.481  0.800  0.375  1.0
  F  F27  1  0.981  0.200  0.625  1.0
  F  F28  1  0.481  0.700  0.875  1.0
  F  F29  1  0.981  0.300  0.125  1.0
  F  F30  1  0.519  0.200  0.625  1.0
  F  F31  1  0.019  0.800  0.375  1.0
  F  F32  1  0.250  0.506  0.360  1.0
  F  F33  1  0.750  0.494  0.640  1.0
  F  F34  1  0.750  0.006  0.140  1.0
  F  F35  1  0.250  0.994  0.860  1.0
  F  F36  1  0.250  0.984  0.160  1.0
  F  F37  1  0.750  0.016  0.840  1.0
  F  F38  1  0.750  0.484  0.340  1.0
  F  F39  1  0.250  0.516  0.660  1.0
  F  F40  1  0.250  0.052  0.466  1.0
  F  F41  1  0.750  0.948  0.534  1.0
  F  F42  1  0.750  0.552  0.034  1.0
  F  F43  1  0.250  0.448  0.966  1.0
[/CIF]
.
The material described by Na2MgInF7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Na site, Na(2) is bonded to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form distorted NaF7 pentagonal bipyramids that share corners with two equivalent Mg(1)F6 octahedra, corners with two equivalent In(1)F6 octahedra, edges with two equivalent Mg(1)F6 octahedra, and edges with two equivalent In(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. Mg(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent In(1)F6 octahedra, corners with two equivalent Na(2)F7 pentagonal bipyramids, and edges with two equivalent Na(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 32-56°. In(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form InF6 octahedra that share corners with four equivalent Mg(1)F6 octahedra, corners with two equivalent Na(2)F7 pentagonal bipyramids, and edges with two equivalent Na(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-56°. There are five inequivalent F sites. In the first F site, F(3) is bonded to one Na(2), two equivalent Na(1), and one In(1) atom to form a mixture of edge and corner-sharing FNa3In tetrahedra. In the second F site, F(4) is bonded to one Na(2), two equivalent Na(1), and one In(1) atom to form a mixture of edge and corner-sharing FNa3In tetrahedra. In the third F site, F(5) is bonded in a 3-coordinate geometry to one Na(2) and two equivalent Mg(1) atoms. In the fourth F site, F(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), one Mg(1), and one In(1) atom. In the fifth F site, F(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mg(1), and one In(1) atom. is represented by the CIF file [CIF]
data_Na2MgInF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.462
_cell_length_b   7.676
_cell_length_c   10.622
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   608.385
_cell_formula_units_Z   4
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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.000  0.000  1.0
  Na  Na2  1  0.000  0.500  0.500  1.0
  Na  Na3  1  0.500  0.500  0.500  1.0
  Na  Na4  1  0.250  0.233  0.272  1.0
  Na  Na5  1  0.250  0.267  0.772  1.0
  Na  Na6  1  0.750  0.733  0.228  1.0
  Na  Na7  1  0.750  0.767  0.728  1.0
  Mg  Mg8  1  0.500  0.000  0.500  1.0
  Mg  Mg9  1  0.500  0.500  0.000  1.0
  Mg  Mg10  1  0.000  0.000  0.500  1.0
  Mg  Mg11  1  0.000  0.500  0.000  1.0
  In  In12  1  0.250  0.750  0.263  1.0
  In  In13  1  0.750  0.250  0.737  1.0
  In  In14  1  0.750  0.250  0.237  1.0
  In  In15  1  0.250  0.750  0.763  1.0
  F  F16  1  0.452  0.675  0.135  1.0
  F  F17  1  0.952  0.325  0.865  1.0
  F  F18  1  0.548  0.175  0.365  1.0
  F  F19  1  0.048  0.825  0.635  1.0
  F  F20  1  0.548  0.325  0.865  1.0
  F  F21  1  0.048  0.675  0.135  1.0
  F  F22  1  0.452  0.825  0.635  1.0
  F  F23  1  0.952  0.175  0.365  1.0
  F  F24  1  0.519  0.300  0.125  1.0
  F  F25  1  0.019  0.700  0.875  1.0
  F  F26  1  0.481  0.800  0.375  1.0
  F  F27  1  0.981  0.200  0.625  1.0
  F  F28  1  0.481  0.700  0.875  1.0
  F  F29  1  0.981  0.300  0.125  1.0
  F  F30  1  0.519  0.200  0.625  1.0
  F  F31  1  0.019  0.800  0.375  1.0
  F  F32  1  0.250  0.506  0.360  1.0
  F  F33  1  0.750  0.494  0.640  1.0
  F  F34  1  0.750  0.006  0.140  1.0
  F  F35  1  0.250  0.994  0.860  1.0
  F  F36  1  0.250  0.984  0.160  1.0
  F  F37  1  0.750  0.016  0.840  1.0
  F  F38  1  0.750  0.484  0.340  1.0
  F  F39  1  0.250  0.516  0.660  1.0
  F  F40  1  0.250  0.052  0.466  1.0
  F  F41  1  0.750  0.948  0.534  1.0
  F  F42  1  0.750  0.552  0.034  1.0
  F  F43  1  0.250  0.448  0.966  1.0
[/CIF]
.