The crystal structure described by Ba3(InN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the second Ba site, Ba(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted BaN6 octahedra that share corners with four equivalent In(1)N4 tetrahedra, edges with two equivalent Ba(2)N6 octahedra, and edges with four equivalent In(1)N4 tetrahedra. In(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form InN4 tetrahedra that share corners with two equivalent Ba(2)N6 octahedra, corners with two equivalent In(1)N4 tetrahedra, edges with two equivalent Ba(2)N6 octahedra, and  an edgeedge with one In(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-57°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), and two equivalent In(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3(InN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.786
_cell_length_b   9.668
_cell_length_c   6.400
_cell_angle_alpha   90.000
_cell_angle_beta   91.593
_cell_angle_gamma   128.379
_symmetry_Int_Tables_number   1
_cell_volume   377.437
_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
  Ba  Ba0  1  0.235  0.978  0.066  1.0
  Ba  Ba1  1  0.765  0.742  0.434  1.0
  Ba  Ba2  1  0.765  0.022  0.934  1.0
  Ba  Ba3  1  0.235  0.258  0.566  1.0
  Ba  Ba4  1  0.000  0.603  0.750  1.0
  Ba  Ba5  1  0.000  0.397  0.250  1.0
  In  In6  1  0.584  0.175  0.589  1.0
  In  In7  1  0.416  0.590  0.911  1.0
  In  In8  1  0.416  0.825  0.411  1.0
  In  In9  1  0.584  0.410  0.089  1.0
  N  N10  1  0.238  0.936  0.510  1.0
  N  N11  1  0.762  0.698  0.990  1.0
  N  N12  1  0.762  0.064  0.490  1.0
  N  N13  1  0.238  0.302  0.010  1.0
  N  N14  1  0.672  0.256  0.927  1.0
  N  N15  1  0.328  0.584  0.573  1.0
  N  N16  1  0.328  0.744  0.073  1.0
  N  N17  1  0.672  0.416  0.427  1.0
[/CIF]
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The crystal structure described by Ba3(InN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the second Ba site, Ba(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted BaN6 octahedra that share corners with four equivalent In(1)N4 tetrahedra, edges with two equivalent Ba(2)N6 octahedra, and edges with four equivalent In(1)N4 tetrahedra. In(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form InN4 tetrahedra that share corners with two equivalent Ba(2)N6 octahedra, corners with two equivalent In(1)N4 tetrahedra, edges with two equivalent Ba(2)N6 octahedra, and  an edgeedge with one In(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-57°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), and two equivalent In(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3(InN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.786
_cell_length_b   9.668
_cell_length_c   6.400
_cell_angle_alpha   90.000
_cell_angle_beta   91.593
_cell_angle_gamma   128.379
_symmetry_Int_Tables_number   1
_cell_volume   377.437
_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
  Ba  Ba0  1  0.235  0.978  0.066  1.0
  Ba  Ba1  1  0.765  0.742  0.434  1.0
  Ba  Ba2  1  0.765  0.022  0.934  1.0
  Ba  Ba3  1  0.235  0.258  0.566  1.0
  Ba  Ba4  1  0.000  0.603  0.750  1.0
  Ba  Ba5  1  0.000  0.397  0.250  1.0
  In  In6  1  0.584  0.175  0.589  1.0
  In  In7  1  0.416  0.590  0.911  1.0
  In  In8  1  0.416  0.825  0.411  1.0
  In  In9  1  0.584  0.410  0.089  1.0
  N  N10  1  0.238  0.936  0.510  1.0
  N  N11  1  0.762  0.698  0.990  1.0
  N  N12  1  0.762  0.064  0.490  1.0
  N  N13  1  0.238  0.302  0.010  1.0
  N  N14  1  0.672  0.256  0.927  1.0
  N  N15  1  0.328  0.584  0.573  1.0
  N  N16  1  0.328  0.744  0.073  1.0
  N  N17  1  0.672  0.416  0.427  1.0
[/CIF]
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