The crystal structure described by In4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent In sites. In the first In site, In(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and two equivalent Te(2) atoms. In the second In site, In(2) is bonded in a distorted L-shaped geometry to two equivalent N(1) and two equivalent Te(1) atoms. In the third In site, In(3) is bonded in a distorted L-shaped geometry to two equivalent N(1) and two equivalent Te(2) atoms. N(1) is bonded to one In(1), one In(2), and two equivalent In(3) atoms to form distorted edge-sharing NIn4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a trigonal planar geometry to one In(1) and two equivalent In(2) atoms. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one In(1) and two equivalent In(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   12.241
_cell_length_c   11.617
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   981.920
_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
  In  In0  1  0.741  0.250  0.947  1.0
  In  In1  1  0.241  0.250  0.553  1.0
  In  In2  1  0.259  0.750  0.053  1.0
  In  In3  1  0.759  0.750  0.447  1.0
  In  In4  1  0.876  0.250  0.390  1.0
  In  In5  1  0.376  0.250  0.110  1.0
  In  In6  1  0.124  0.750  0.610  1.0
  In  In7  1  0.624  0.750  0.890  1.0
  In  In8  1  0.635  0.524  0.106  1.0
  In  In9  1  0.135  0.976  0.394  1.0
  In  In10  1  0.365  0.024  0.894  1.0
  In  In11  1  0.865  0.476  0.606  1.0
  In  In12  1  0.365  0.476  0.894  1.0
  In  In13  1  0.865  0.024  0.606  1.0
  In  In14  1  0.635  0.976  0.106  1.0
  In  In15  1  0.135  0.524  0.394  1.0
  Te  Te16  1  0.982  0.250  0.152  1.0
  Te  Te17  1  0.482  0.250  0.348  1.0
  Te  Te18  1  0.018  0.750  0.848  1.0
  Te  Te19  1  0.518  0.750  0.652  1.0
  Te  Te20  1  0.543  0.558  0.346  1.0
  Te  Te21  1  0.043  0.942  0.154  1.0
  Te  Te22  1  0.457  0.058  0.654  1.0
  Te  Te23  1  0.957  0.442  0.846  1.0
  Te  Te24  1  0.457  0.442  0.654  1.0
  Te  Te25  1  0.957  0.058  0.846  1.0
  Te  Te26  1  0.543  0.942  0.346  1.0
  Te  Te27  1  0.043  0.558  0.154  1.0
  N  N28  1  0.471  0.624  0.984  1.0
  N  N29  1  0.971  0.876  0.516  1.0
  N  N30  1  0.529  0.124  0.016  1.0
  N  N31  1  0.029  0.376  0.484  1.0
  N  N32  1  0.529  0.376  0.016  1.0
  N  N33  1  0.029  0.124  0.484  1.0
  N  N34  1  0.471  0.876  0.984  1.0
  N  N35  1  0.971  0.624  0.516  1.0
[/CIF]
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The crystal structure described by In4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent In sites. In the first In site, In(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and two equivalent Te(2) atoms. In the second In site, In(2) is bonded in a distorted L-shaped geometry to two equivalent N(1) and two equivalent Te(1) atoms. In the third In site, In(3) is bonded in a distorted L-shaped geometry to two equivalent N(1) and two equivalent Te(2) atoms. N(1) is bonded to one In(1), one In(2), and two equivalent In(3) atoms to form distorted edge-sharing NIn4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a trigonal planar geometry to one In(1) and two equivalent In(2) atoms. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one In(1) and two equivalent In(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   12.241
_cell_length_c   11.617
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   981.920
_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
  In  In0  1  0.741  0.250  0.947  1.0
  In  In1  1  0.241  0.250  0.553  1.0
  In  In2  1  0.259  0.750  0.053  1.0
  In  In3  1  0.759  0.750  0.447  1.0
  In  In4  1  0.876  0.250  0.390  1.0
  In  In5  1  0.376  0.250  0.110  1.0
  In  In6  1  0.124  0.750  0.610  1.0
  In  In7  1  0.624  0.750  0.890  1.0
  In  In8  1  0.635  0.524  0.106  1.0
  In  In9  1  0.135  0.976  0.394  1.0
  In  In10  1  0.365  0.024  0.894  1.0
  In  In11  1  0.865  0.476  0.606  1.0
  In  In12  1  0.365  0.476  0.894  1.0
  In  In13  1  0.865  0.024  0.606  1.0
  In  In14  1  0.635  0.976  0.106  1.0
  In  In15  1  0.135  0.524  0.394  1.0
  Te  Te16  1  0.982  0.250  0.152  1.0
  Te  Te17  1  0.482  0.250  0.348  1.0
  Te  Te18  1  0.018  0.750  0.848  1.0
  Te  Te19  1  0.518  0.750  0.652  1.0
  Te  Te20  1  0.543  0.558  0.346  1.0
  Te  Te21  1  0.043  0.942  0.154  1.0
  Te  Te22  1  0.457  0.058  0.654  1.0
  Te  Te23  1  0.957  0.442  0.846  1.0
  Te  Te24  1  0.457  0.442  0.654  1.0
  Te  Te25  1  0.957  0.058  0.846  1.0
  Te  Te26  1  0.543  0.942  0.346  1.0
  Te  Te27  1  0.043  0.558  0.154  1.0
  N  N28  1  0.471  0.624  0.984  1.0
  N  N29  1  0.971  0.876  0.516  1.0
  N  N30  1  0.529  0.124  0.016  1.0
  N  N31  1  0.029  0.376  0.484  1.0
  N  N32  1  0.529  0.376  0.016  1.0
  N  N33  1  0.029  0.124  0.484  1.0
  N  N34  1  0.471  0.876  0.984  1.0
  N  N35  1  0.971  0.624  0.516  1.0
[/CIF]
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