The crystal structure described by Ba8Ni6N7 crystallizes in the monoclinic C2/c space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted trigonal planar geometry to one N(3) and two equivalent N(5) atoms. In the second Ba site, Ba(2) is bonded in a distorted trigonal planar geometry to one N(3) and two equivalent N(5) atoms. In the third Ba site, Ba(3) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the fourth Ba site, Ba(4) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(4), and one N(5) atom. In the fifth Ba site, Ba(5) is bonded in a 4-coordinate geometry to one N(2), one N(5), and two equivalent N(4) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted linear geometry to one N(3) and one N(4) atom. In the second Ni site, Ni(2) is bonded in a distorted linear geometry to one N(4) and one N(5) atom. In the third Ni site, Ni(3) is bonded in a linear geometry to one N(1) and one N(5) atom. There are five inequivalent N sites. In the first N site, N(5) is bonded to one Ba(1), one Ba(2), one Ba(4), one Ba(5), one Ni(2), and one Ni(3) atom to form distorted NBa4Ni2 octahedra that share corners with two equivalent N(3)Ba4Ni2 octahedra, corners with two equivalent N(5)Ba4Ni2 octahedra, corners with two equivalent N(2)Ba6 octahedra, and corners with four equivalent N(4)Ba4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 16-68°. In the second N site, N(1) is bonded in a distorted linear geometry to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ni(3) atoms. In the third N site, N(2) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ba(5) atoms to form a mixture of corner and edge-sharing NBa6 octahedra. The corner-sharing octahedral tilt angles range from 57-72°. In the fourth N site, N(3) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), and two equivalent Ni(1) atoms to form distorted NBa4Ni2 octahedra that share corners with two equivalent N(2)Ba6 octahedra, corners with four equivalent N(4)Ba4Ni2 octahedra, and corners with four equivalent N(5)Ba4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 16-72°. In the fifth N site, N(4) is bonded to one Ba(3), one Ba(4), two equivalent Ba(5), one Ni(1), and one Ni(2) atom to form distorted NBa4Ni2 octahedra that share corners with two equivalent N(3)Ba4Ni2 octahedra, corners with four equivalent N(5)Ba4Ni2 octahedra,  an edgeedge with one N(4)Ba4Ni2 octahedra, and edges with two equivalent N(2)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 16-61°. is represented by the CIF card [CIF]
data_Ba8Ni6N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.672
_cell_length_b   9.672
_cell_length_c   12.094
_cell_angle_alpha   81.604
_cell_angle_beta   81.604
_cell_angle_gamma   120.478
_symmetry_Int_Tables_number   1
_cell_volume   931.917
_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  0.917  0.083  0.750  1.0
  Ba  Ba1  1  0.083  0.917  0.250  1.0
  Ba  Ba2  1  0.247  0.753  0.750  1.0
  Ba  Ba3  1  0.753  0.247  0.250  1.0
  Ba  Ba4  1  0.883  0.704  0.599  1.0
  Ba  Ba5  1  0.296  0.117  0.901  1.0
  Ba  Ba6  1  0.117  0.296  0.401  1.0
  Ba  Ba7  1  0.704  0.883  0.099  1.0
  Ba  Ba8  1  0.232  0.636  0.103  1.0
  Ba  Ba9  1  0.364  0.768  0.397  1.0
  Ba  Ba10  1  0.768  0.364  0.897  1.0
  Ba  Ba11  1  0.636  0.232  0.603  1.0
  Ba  Ba12  1  0.618  0.554  0.357  1.0
  Ba  Ba13  1  0.446  0.382  0.143  1.0
  Ba  Ba14  1  0.382  0.446  0.643  1.0
  Ba  Ba15  1  0.554  0.618  0.857  1.0
  Ni  Ni16  1  0.218  0.059  0.614  1.0
  Ni  Ni17  1  0.941  0.782  0.886  1.0
  Ni  Ni18  1  0.872  0.634  0.101  1.0
  Ni  Ni19  1  0.366  0.128  0.399  1.0
  Ni  Ni20  1  0.128  0.366  0.899  1.0
  Ni  Ni21  1  0.634  0.872  0.601  1.0
  Ni  Ni22  1  0.457  0.041  0.132  1.0
  Ni  Ni23  1  0.959  0.543  0.368  1.0
  Ni  Ni24  1  0.543  0.959  0.868  1.0
  Ni  Ni25  1  0.041  0.457  0.632  1.0
  Ni  Ni26  1  0.059  0.218  0.114  1.0
  Ni  Ni27  1  0.782  0.941  0.386  1.0
  N  N28  1  0.000  0.500  0.500  1.0
  N  N29  1  0.500  0.000  0.000  1.0
  N  N30  1  0.593  0.407  0.750  1.0
  N  N31  1  0.407  0.593  0.250  1.0
  N  N32  1  0.085  0.915  0.750  1.0
  N  N33  1  0.915  0.085  0.250  1.0
  N  N34  1  0.638  0.754  0.500  1.0
  N  N35  1  0.246  0.362  0.000  1.0
  N  N36  1  0.362  0.246  0.500  1.0
  N  N37  1  0.754  0.638  1.000  1.0
  N  N38  1  0.593  0.931  0.729  1.0
  N  N39  1  0.069  0.407  0.771  1.0
  N  N40  1  0.407  0.069  0.271  1.0
  N  N41  1  0.931  0.593  0.229  1.0
[/CIF]
.
The crystal structure described by Ba8Ni6N7 crystallizes in the monoclinic C2/c space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted trigonal planar geometry to one N(3) and two equivalent N(5) atoms. In the second Ba site, Ba(2) is bonded in a distorted trigonal planar geometry to one N(3) and two equivalent N(5) atoms. In the third Ba site, Ba(3) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the fourth Ba site, Ba(4) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(4), and one N(5) atom. In the fifth Ba site, Ba(5) is bonded in a 4-coordinate geometry to one N(2), one N(5), and two equivalent N(4) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted linear geometry to one N(3) and one N(4) atom. In the second Ni site, Ni(2) is bonded in a distorted linear geometry to one N(4) and one N(5) atom. In the third Ni site, Ni(3) is bonded in a linear geometry to one N(1) and one N(5) atom. There are five inequivalent N sites. In the first N site, N(5) is bonded to one Ba(1), one Ba(2), one Ba(4), one Ba(5), one Ni(2), and one Ni(3) atom to form distorted NBa4Ni2 octahedra that share corners with two equivalent N(3)Ba4Ni2 octahedra, corners with two equivalent N(5)Ba4Ni2 octahedra, corners with two equivalent N(2)Ba6 octahedra, and corners with four equivalent N(4)Ba4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 16-68°. In the second N site, N(1) is bonded in a distorted linear geometry to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ni(3) atoms. In the third N site, N(2) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ba(5) atoms to form a mixture of corner and edge-sharing NBa6 octahedra. The corner-sharing octahedral tilt angles range from 57-72°. In the fourth N site, N(3) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), and two equivalent Ni(1) atoms to form distorted NBa4Ni2 octahedra that share corners with two equivalent N(2)Ba6 octahedra, corners with four equivalent N(4)Ba4Ni2 octahedra, and corners with four equivalent N(5)Ba4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 16-72°. In the fifth N site, N(4) is bonded to one Ba(3), one Ba(4), two equivalent Ba(5), one Ni(1), and one Ni(2) atom to form distorted NBa4Ni2 octahedra that share corners with two equivalent N(3)Ba4Ni2 octahedra, corners with four equivalent N(5)Ba4Ni2 octahedra,  an edgeedge with one N(4)Ba4Ni2 octahedra, and edges with two equivalent N(2)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 16-61°. is represented by the CIF card [CIF]
data_Ba8Ni6N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.672
_cell_length_b   9.672
_cell_length_c   12.094
_cell_angle_alpha   81.604
_cell_angle_beta   81.604
_cell_angle_gamma   120.478
_symmetry_Int_Tables_number   1
_cell_volume   931.917
_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  0.917  0.083  0.750  1.0
  Ba  Ba1  1  0.083  0.917  0.250  1.0
  Ba  Ba2  1  0.247  0.753  0.750  1.0
  Ba  Ba3  1  0.753  0.247  0.250  1.0
  Ba  Ba4  1  0.883  0.704  0.599  1.0
  Ba  Ba5  1  0.296  0.117  0.901  1.0
  Ba  Ba6  1  0.117  0.296  0.401  1.0
  Ba  Ba7  1  0.704  0.883  0.099  1.0
  Ba  Ba8  1  0.232  0.636  0.103  1.0
  Ba  Ba9  1  0.364  0.768  0.397  1.0
  Ba  Ba10  1  0.768  0.364  0.897  1.0
  Ba  Ba11  1  0.636  0.232  0.603  1.0
  Ba  Ba12  1  0.618  0.554  0.357  1.0
  Ba  Ba13  1  0.446  0.382  0.143  1.0
  Ba  Ba14  1  0.382  0.446  0.643  1.0
  Ba  Ba15  1  0.554  0.618  0.857  1.0
  Ni  Ni16  1  0.218  0.059  0.614  1.0
  Ni  Ni17  1  0.941  0.782  0.886  1.0
  Ni  Ni18  1  0.872  0.634  0.101  1.0
  Ni  Ni19  1  0.366  0.128  0.399  1.0
  Ni  Ni20  1  0.128  0.366  0.899  1.0
  Ni  Ni21  1  0.634  0.872  0.601  1.0
  Ni  Ni22  1  0.457  0.041  0.132  1.0
  Ni  Ni23  1  0.959  0.543  0.368  1.0
  Ni  Ni24  1  0.543  0.959  0.868  1.0
  Ni  Ni25  1  0.041  0.457  0.632  1.0
  Ni  Ni26  1  0.059  0.218  0.114  1.0
  Ni  Ni27  1  0.782  0.941  0.386  1.0
  N  N28  1  0.000  0.500  0.500  1.0
  N  N29  1  0.500  0.000  0.000  1.0
  N  N30  1  0.593  0.407  0.750  1.0
  N  N31  1  0.407  0.593  0.250  1.0
  N  N32  1  0.085  0.915  0.750  1.0
  N  N33  1  0.915  0.085  0.250  1.0
  N  N34  1  0.638  0.754  0.500  1.0
  N  N35  1  0.246  0.362  0.000  1.0
  N  N36  1  0.362  0.246  0.500  1.0
  N  N37  1  0.754  0.638  1.000  1.0
  N  N38  1  0.593  0.931  0.729  1.0
  N  N39  1  0.069  0.407  0.771  1.0
  N  N40  1  0.407  0.069  0.271  1.0
  N  N41  1  0.931  0.593  0.229  1.0
[/CIF]
.