The material structure described by Li(NbCl3)3In crystallizes in the triclinic P-1 space group. The structure consists of two 7440-74-6 atoms inside a Li(NbCl3)3 framework. In the Li(NbCl3)3 framework, Li(1) is bonded to one Cl(6), one Cl(8), and two equivalent Cl(3) atoms to form LiCl4 tetrahedra that share  a cornercorner with one Nb(1)Cl5 square pyramid,  a cornercorner with one Nb(2)Cl5 square pyramid, corners with two equivalent Nb(3)Cl5 square pyramids, and  an edgeedge with one Li(1)Cl4 tetrahedra. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one Cl(1), one Cl(2), one Cl(5), one Cl(6), and one Cl(9) atom to form distorted NbCl5 square pyramids that share corners with two equivalent Nb(2)Cl5 square pyramids, corners with two equivalent Nb(3)Cl5 square pyramids, and  a cornercorner with one Li(1)Cl4 tetrahedra. In the second Nb site, Nb(2) is bonded to one Cl(2), one Cl(4), one Cl(5), one Cl(7), and one Cl(8) atom to form distorted NbCl5 square pyramids that share corners with two equivalent Nb(1)Cl5 square pyramids, corners with two equivalent Nb(3)Cl5 square pyramids, and  a cornercorner with one Li(1)Cl4 tetrahedra. In the third Nb site, Nb(3) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(7), and one Cl(9) atom to form distorted NbCl5 square pyramids that share corners with two equivalent Nb(1)Cl5 square pyramids, corners with two equivalent Nb(2)Cl5 square pyramids, and corners with two equivalent Li(1)Cl4 tetrahedra. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(3) atom. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(2) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Nb(3) atom. In the fourth Cl site, Cl(4) is bonded in a 2-coordinate geometry to one Nb(2) and one Nb(3) atom. In the fifth Cl site, Cl(5) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(2) atom. In the sixth Cl site, Cl(6) is bonded in a bent 120 degrees geometry to one Li(1) and one Nb(1) atom. In the seventh Cl site, Cl(7) is bonded in a 2-coordinate geometry to one Nb(2) and one Nb(3) atom. In the eighth Cl site, Cl(8) is bonded in a bent 120 degrees geometry to one Li(1) and one Nb(2) atom. In the ninth Cl site, Cl(9) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNb3InCl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.404
_cell_length_b   9.461
_cell_length_c   9.471
_cell_angle_alpha   119.250
_cell_angle_beta   104.880
_cell_angle_gamma   96.805
_symmetry_Int_Tables_number   1
_cell_volume   680.124
_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
  Li  Li0  1  0.618  0.048  0.189  1.0
  Li  Li1  1  0.382  0.952  0.811  1.0
  Nb  Nb2  1  0.139  0.571  0.247  1.0
  Nb  Nb3  1  0.861  0.429  0.753  1.0
  Nb  Nb4  1  0.132  0.345  0.892  1.0
  Nb  Nb5  1  0.858  0.300  0.979  1.0
  Nb  Nb6  1  0.868  0.655  0.108  1.0
  Nb  Nb7  1  0.142  0.700  0.021  1.0
  In  In8  1  0.343  0.268  0.484  1.0
  In  In9  1  0.657  0.732  0.516  1.0
  Cl  Cl10  1  0.003  0.652  0.734  1.0
  Cl  Cl11  1  0.680  0.598  0.834  1.0
  Cl  Cl12  1  0.333  0.963  0.057  1.0
  Cl  Cl13  1  0.988  0.082  0.849  1.0
  Cl  Cl14  1  0.008  0.763  0.416  1.0
  Cl  Cl15  1  0.670  0.337  0.439  1.0
  Cl  Cl16  1  0.322  0.555  0.900  1.0
  Cl  Cl17  1  0.320  0.402  0.166  1.0
  Cl  Cl18  1  0.300  0.155  0.752  1.0
  Cl  Cl19  1  0.997  0.348  0.266  1.0
  Cl  Cl20  1  0.678  0.445  0.100  1.0
  Cl  Cl21  1  0.669  0.177  0.682  1.0
  Cl  Cl22  1  0.700  0.845  0.248  1.0
  Cl  Cl23  1  0.012  0.918  0.151  1.0
  Cl  Cl24  1  0.992  0.237  0.584  1.0
  Cl  Cl25  1  0.330  0.663  0.561  1.0
  Cl  Cl26  1  0.667  0.037  0.943  1.0
  Cl  Cl27  1  0.331  0.823  0.318  1.0
[/CIF]
.
The material structure described by Li(NbCl3)3In crystallizes in the triclinic P-1 space group. The structure consists of two 7440-74-6 atoms inside a Li(NbCl3)3 framework. In the Li(NbCl3)3 framework, Li(1) is bonded to one Cl(6), one Cl(8), and two equivalent Cl(3) atoms to form LiCl4 tetrahedra that share  a cornercorner with one Nb(1)Cl5 square pyramid,  a cornercorner with one Nb(2)Cl5 square pyramid, corners with two equivalent Nb(3)Cl5 square pyramids, and  an edgeedge with one Li(1)Cl4 tetrahedra. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one Cl(1), one Cl(2), one Cl(5), one Cl(6), and one Cl(9) atom to form distorted NbCl5 square pyramids that share corners with two equivalent Nb(2)Cl5 square pyramids, corners with two equivalent Nb(3)Cl5 square pyramids, and  a cornercorner with one Li(1)Cl4 tetrahedra. In the second Nb site, Nb(2) is bonded to one Cl(2), one Cl(4), one Cl(5), one Cl(7), and one Cl(8) atom to form distorted NbCl5 square pyramids that share corners with two equivalent Nb(1)Cl5 square pyramids, corners with two equivalent Nb(3)Cl5 square pyramids, and  a cornercorner with one Li(1)Cl4 tetrahedra. In the third Nb site, Nb(3) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(7), and one Cl(9) atom to form distorted NbCl5 square pyramids that share corners with two equivalent Nb(1)Cl5 square pyramids, corners with two equivalent Nb(2)Cl5 square pyramids, and corners with two equivalent Li(1)Cl4 tetrahedra. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(3) atom. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(2) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Nb(3) atom. In the fourth Cl site, Cl(4) is bonded in a 2-coordinate geometry to one Nb(2) and one Nb(3) atom. In the fifth Cl site, Cl(5) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(2) atom. In the sixth Cl site, Cl(6) is bonded in a bent 120 degrees geometry to one Li(1) and one Nb(1) atom. In the seventh Cl site, Cl(7) is bonded in a 2-coordinate geometry to one Nb(2) and one Nb(3) atom. In the eighth Cl site, Cl(8) is bonded in a bent 120 degrees geometry to one Li(1) and one Nb(2) atom. In the ninth Cl site, Cl(9) is bonded in a 2-coordinate geometry to one Nb(1) and one Nb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNb3InCl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.404
_cell_length_b   9.461
_cell_length_c   9.471
_cell_angle_alpha   119.250
_cell_angle_beta   104.880
_cell_angle_gamma   96.805
_symmetry_Int_Tables_number   1
_cell_volume   680.124
_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
  Li  Li0  1  0.618  0.048  0.189  1.0
  Li  Li1  1  0.382  0.952  0.811  1.0
  Nb  Nb2  1  0.139  0.571  0.247  1.0
  Nb  Nb3  1  0.861  0.429  0.753  1.0
  Nb  Nb4  1  0.132  0.345  0.892  1.0
  Nb  Nb5  1  0.858  0.300  0.979  1.0
  Nb  Nb6  1  0.868  0.655  0.108  1.0
  Nb  Nb7  1  0.142  0.700  0.021  1.0
  In  In8  1  0.343  0.268  0.484  1.0
  In  In9  1  0.657  0.732  0.516  1.0
  Cl  Cl10  1  0.003  0.652  0.734  1.0
  Cl  Cl11  1  0.680  0.598  0.834  1.0
  Cl  Cl12  1  0.333  0.963  0.057  1.0
  Cl  Cl13  1  0.988  0.082  0.849  1.0
  Cl  Cl14  1  0.008  0.763  0.416  1.0
  Cl  Cl15  1  0.670  0.337  0.439  1.0
  Cl  Cl16  1  0.322  0.555  0.900  1.0
  Cl  Cl17  1  0.320  0.402  0.166  1.0
  Cl  Cl18  1  0.300  0.155  0.752  1.0
  Cl  Cl19  1  0.997  0.348  0.266  1.0
  Cl  Cl20  1  0.678  0.445  0.100  1.0
  Cl  Cl21  1  0.669  0.177  0.682  1.0
  Cl  Cl22  1  0.700  0.845  0.248  1.0
  Cl  Cl23  1  0.012  0.918  0.151  1.0
  Cl  Cl24  1  0.992  0.237  0.584  1.0
  Cl  Cl25  1  0.330  0.663  0.561  1.0
  Cl  Cl26  1  0.667  0.037  0.943  1.0
  Cl  Cl27  1  0.331  0.823  0.318  1.0
[/CIF]
.