The crystal structure described by Na2In crystallizes in the orthorhombic C222_1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent Na(3), two equivalent In(1), and two equivalent In(2) atoms. In the second Na site, Na(2) is bonded in a 12-coordinate geometry to two equivalent Na(3), two equivalent Na(4), two equivalent Na(5), two equivalent In(1), and four equivalent In(2) atoms. In the third Na site, Na(3) is bonded in a 13-coordinate geometry to one Na(1), one Na(2), one Na(3), two equivalent Na(4), three equivalent Na(5), two equivalent In(2), and three equivalent In(1) atoms. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(3), two equivalent In(1), and two equivalent In(2) atoms. In the fifth Na site, Na(5) is bonded in a 3-coordinate geometry to one Na(2), three equivalent Na(3), one In(2), and two equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Na(1), one Na(2), two equivalent Na(4), two equivalent Na(5), three equivalent Na(3), one In(1), and two equivalent In(2) atoms to form a mixture of distorted corner and face-sharing InNa9In3 cuboctahedra. In the second In site, In(2) is bonded in a 11-coordinate geometry to one Na(1), one Na(5), two equivalent Na(2), two equivalent Na(3), two equivalent Na(4), one In(2), and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Na2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.151
_cell_length_b   8.151
_cell_length_c   11.605
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.666
_symmetry_Int_Tables_number   1
_cell_volume   700.639
_cell_formula_units_Z   8
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  0.066  0.934  0.000  1.0
  Na  Na1  1  0.934  0.066  0.500  1.0
  Na  Na2  1  0.590  0.590  0.250  1.0
  Na  Na3  1  0.410  0.410  0.750  1.0
  Na  Na4  1  0.498  0.896  0.420  1.0
  Na  Na5  1  0.502  0.104  0.920  1.0
  Na  Na6  1  0.896  0.498  0.080  1.0
  Na  Na7  1  0.104  0.502  0.580  1.0
  Na  Na8  1  0.397  0.152  0.207  1.0
  Na  Na9  1  0.603  0.848  0.707  1.0
  Na  Na10  1  0.152  0.397  0.293  1.0
  Na  Na11  1  0.848  0.603  0.793  1.0
  Na  Na12  1  0.775  0.050  0.167  1.0
  Na  Na13  1  0.225  0.950  0.667  1.0
  Na  Na14  1  0.050  0.775  0.333  1.0
  Na  Na15  1  0.950  0.225  0.833  1.0
  In  In16  1  0.330  0.756  0.128  1.0
  In  In17  1  0.670  0.244  0.628  1.0
  In  In18  1  0.756  0.330  0.372  1.0
  In  In19  1  0.244  0.670  0.872  1.0
  In  In20  1  0.727  0.622  0.525  1.0
  In  In21  1  0.273  0.378  0.025  1.0
  In  In22  1  0.622  0.727  0.975  1.0
  In  In23  1  0.378  0.273  0.475  1.0
[/CIF]
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The crystal structure described by Na2In crystallizes in the orthorhombic C222_1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent Na(3), two equivalent In(1), and two equivalent In(2) atoms. In the second Na site, Na(2) is bonded in a 12-coordinate geometry to two equivalent Na(3), two equivalent Na(4), two equivalent Na(5), two equivalent In(1), and four equivalent In(2) atoms. In the third Na site, Na(3) is bonded in a 13-coordinate geometry to one Na(1), one Na(2), one Na(3), two equivalent Na(4), three equivalent Na(5), two equivalent In(2), and three equivalent In(1) atoms. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(3), two equivalent In(1), and two equivalent In(2) atoms. In the fifth Na site, Na(5) is bonded in a 3-coordinate geometry to one Na(2), three equivalent Na(3), one In(2), and two equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Na(1), one Na(2), two equivalent Na(4), two equivalent Na(5), three equivalent Na(3), one In(1), and two equivalent In(2) atoms to form a mixture of distorted corner and face-sharing InNa9In3 cuboctahedra. In the second In site, In(2) is bonded in a 11-coordinate geometry to one Na(1), one Na(5), two equivalent Na(2), two equivalent Na(3), two equivalent Na(4), one In(2), and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Na2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.151
_cell_length_b   8.151
_cell_length_c   11.605
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.666
_symmetry_Int_Tables_number   1
_cell_volume   700.639
_cell_formula_units_Z   8
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  0.066  0.934  0.000  1.0
  Na  Na1  1  0.934  0.066  0.500  1.0
  Na  Na2  1  0.590  0.590  0.250  1.0
  Na  Na3  1  0.410  0.410  0.750  1.0
  Na  Na4  1  0.498  0.896  0.420  1.0
  Na  Na5  1  0.502  0.104  0.920  1.0
  Na  Na6  1  0.896  0.498  0.080  1.0
  Na  Na7  1  0.104  0.502  0.580  1.0
  Na  Na8  1  0.397  0.152  0.207  1.0
  Na  Na9  1  0.603  0.848  0.707  1.0
  Na  Na10  1  0.152  0.397  0.293  1.0
  Na  Na11  1  0.848  0.603  0.793  1.0
  Na  Na12  1  0.775  0.050  0.167  1.0
  Na  Na13  1  0.225  0.950  0.667  1.0
  Na  Na14  1  0.050  0.775  0.333  1.0
  Na  Na15  1  0.950  0.225  0.833  1.0
  In  In16  1  0.330  0.756  0.128  1.0
  In  In17  1  0.670  0.244  0.628  1.0
  In  In18  1  0.756  0.330  0.372  1.0
  In  In19  1  0.244  0.670  0.872  1.0
  In  In20  1  0.727  0.622  0.525  1.0
  In  In21  1  0.273  0.378  0.025  1.0
  In  In22  1  0.622  0.727  0.975  1.0
  In  In23  1  0.378  0.273  0.475  1.0
[/CIF]
.