The structure described by BaNiN is Potassium Silver Cyanide-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second Ni site, Ni(2) is bonded in a linear geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing NBa4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-68°. In the second N site, N(2) is bonded to one Ba(1), three equivalent Ba(2), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing NBa4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.439
_cell_length_b   9.715
_cell_length_c   13.693
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   723.561
_cell_formula_units_Z   12
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  0.478  0.506  0.750  1.0
  Ba  Ba1  1  0.978  0.994  0.250  1.0
  Ba  Ba2  1  0.022  0.006  0.750  1.0
  Ba  Ba3  1  0.522  0.494  0.250  1.0
  Ba  Ba4  1  0.972  0.326  0.412  1.0
  Ba  Ba5  1  0.472  0.174  0.588  1.0
  Ba  Ba6  1  0.528  0.826  0.088  1.0
  Ba  Ba7  1  0.028  0.674  0.912  1.0
  Ba  Ba8  1  0.028  0.674  0.588  1.0
  Ba  Ba9  1  0.528  0.826  0.412  1.0
  Ba  Ba10  1  0.472  0.174  0.912  1.0
  Ba  Ba11  1  0.972  0.326  0.088  1.0
  Ni  Ni12  1  0.436  0.143  0.162  1.0
  Ni  Ni13  1  0.936  0.357  0.838  1.0
  Ni  Ni14  1  0.064  0.643  0.338  1.0
  Ni  Ni15  1  0.564  0.857  0.662  1.0
  Ni  Ni16  1  0.564  0.857  0.838  1.0
  Ni  Ni17  1  0.064  0.643  0.162  1.0
  Ni  Ni18  1  0.936  0.357  0.662  1.0
  Ni  Ni19  1  0.436  0.143  0.338  1.0
  Ni  Ni20  1  0.000  0.000  0.000  1.0
  Ni  Ni21  1  0.500  0.500  0.000  1.0
  Ni  Ni22  1  0.500  0.500  0.500  1.0
  Ni  Ni23  1  0.000  0.000  0.500  1.0
  N  N24  1  0.352  0.783  0.750  1.0
  N  N25  1  0.852  0.717  0.250  1.0
  N  N26  1  0.148  0.283  0.750  1.0
  N  N27  1  0.648  0.217  0.250  1.0
  N  N28  1  0.224  0.071  0.423  1.0
  N  N29  1  0.724  0.429  0.577  1.0
  N  N30  1  0.276  0.571  0.077  1.0
  N  N31  1  0.776  0.929  0.923  1.0
  N  N32  1  0.776  0.929  0.577  1.0
  N  N33  1  0.276  0.571  0.423  1.0
  N  N34  1  0.724  0.429  0.923  1.0
  N  N35  1  0.224  0.071  0.077  1.0
[/CIF]
.
The structure described by BaNiN is Potassium Silver Cyanide-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second Ni site, Ni(2) is bonded in a linear geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing NBa4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-68°. In the second N site, N(2) is bonded to one Ba(1), three equivalent Ba(2), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing NBa4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.439
_cell_length_b   9.715
_cell_length_c   13.693
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   723.561
_cell_formula_units_Z   12
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  0.478  0.506  0.750  1.0
  Ba  Ba1  1  0.978  0.994  0.250  1.0
  Ba  Ba2  1  0.022  0.006  0.750  1.0
  Ba  Ba3  1  0.522  0.494  0.250  1.0
  Ba  Ba4  1  0.972  0.326  0.412  1.0
  Ba  Ba5  1  0.472  0.174  0.588  1.0
  Ba  Ba6  1  0.528  0.826  0.088  1.0
  Ba  Ba7  1  0.028  0.674  0.912  1.0
  Ba  Ba8  1  0.028  0.674  0.588  1.0
  Ba  Ba9  1  0.528  0.826  0.412  1.0
  Ba  Ba10  1  0.472  0.174  0.912  1.0
  Ba  Ba11  1  0.972  0.326  0.088  1.0
  Ni  Ni12  1  0.436  0.143  0.162  1.0
  Ni  Ni13  1  0.936  0.357  0.838  1.0
  Ni  Ni14  1  0.064  0.643  0.338  1.0
  Ni  Ni15  1  0.564  0.857  0.662  1.0
  Ni  Ni16  1  0.564  0.857  0.838  1.0
  Ni  Ni17  1  0.064  0.643  0.162  1.0
  Ni  Ni18  1  0.936  0.357  0.662  1.0
  Ni  Ni19  1  0.436  0.143  0.338  1.0
  Ni  Ni20  1  0.000  0.000  0.000  1.0
  Ni  Ni21  1  0.500  0.500  0.000  1.0
  Ni  Ni22  1  0.500  0.500  0.500  1.0
  Ni  Ni23  1  0.000  0.000  0.500  1.0
  N  N24  1  0.352  0.783  0.750  1.0
  N  N25  1  0.852  0.717  0.250  1.0
  N  N26  1  0.148  0.283  0.750  1.0
  N  N27  1  0.648  0.217  0.250  1.0
  N  N28  1  0.224  0.071  0.423  1.0
  N  N29  1  0.724  0.429  0.577  1.0
  N  N30  1  0.276  0.571  0.077  1.0
  N  N31  1  0.776  0.929  0.923  1.0
  N  N32  1  0.776  0.929  0.577  1.0
  N  N33  1  0.276  0.571  0.423  1.0
  N  N34  1  0.724  0.429  0.923  1.0
  N  N35  1  0.224  0.071  0.077  1.0
[/CIF]
.