The crystal structure described by Ba9Nb2CN10O crystallizes in the triclinic P-1 space group. There are nine inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one N(10), one N(3), one N(6), one N(9), two equivalent N(7), and one O(1) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one C(1), one N(1), one N(2), one N(4), one N(6), and two equivalent N(9) atoms. In the third Ba site, Ba(3) is bonded to one N(1), one N(10), one N(4), one N(5), one N(8), and one O(1) atom to form distorted BaN5O octahedra that share  a cornercorner with one Ba(5)N5O octahedra,  a cornercorner with one Ba(7)N4O square pyramid,  a cornercorner with one Nb(2)N4 tetrahedra,  an edgeedge with one Ba(5)N5O octahedra, edges with two equivalent Ba(4)N5O octahedra,  an edgeedge with one Ba(7)N4O square pyramid,  an edgeedge with one Nb(1)N4 tetrahedra, and  an edgeedge with one Ba(6)N5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 34°. In the fourth Ba site, Ba(4) is bonded to one N(10), one N(3), one N(4), one N(5), one N(9), and one O(1) atom to form distorted BaN5O octahedra that share corners with two equivalent Ba(5)N5O octahedra,  a cornercorner with one Nb(2)N4 tetrahedra, edges with two equivalent Ba(3)N5O octahedra, edges with two equivalent Ba(7)N4O square pyramids,  an edgeedge with one Nb(1)N4 tetrahedra, and  an edgeedge with one Ba(6)N5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 11-17°. In the fifth Ba site, Ba(5) is bonded to one N(10), one N(2), one N(8), two equivalent N(7), and one O(1) atom to form distorted BaN5O octahedra that share  a cornercorner with one Ba(3)N5O octahedra, corners with two equivalent Ba(4)N5O octahedra,  a cornercorner with one Ba(7)N4O square pyramid,  a cornercorner with one Nb(2)N4 tetrahedra,  an edgeedge with one Ba(3)N5O octahedra,  an edgeedge with one Ba(5)N5O octahedra,  an edgeedge with one Ba(7)N4O square pyramid,  an edgeedge with one Nb(1)N4 tetrahedra,  an edgeedge with one Nb(2)N4 tetrahedra, and edges with two equivalent Ba(6)N5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-34°. In the sixth Ba site, Ba(6) is bonded to one N(2), one N(3), one N(4), one N(7), and one N(8) atom to form BaN5 trigonal bipyramids that share corners with three equivalent Ba(7)N4O square pyramids,  a cornercorner with one Nb(1)N4 tetrahedra, corners with three equivalent Nb(2)N4 tetrahedra,  an edgeedge with one Ba(3)N5O octahedra,  an edgeedge with one Ba(4)N5O octahedra, and edges with two equivalent Ba(5)N5O octahedra. In the seventh Ba site, Ba(7) is bonded to one N(10), one N(8), two equivalent N(3), and one O(1) atom to form distorted BaN4O square pyramids that share  a cornercorner with one Ba(3)N5O octahedra,  a cornercorner with one Ba(5)N5O octahedra,  a cornercorner with one Nb(1)N4 tetrahedra,  a cornercorner with one Nb(2)N4 tetrahedra, corners with three equivalent Ba(6)N5 trigonal bipyramids,  an edgeedge with one Ba(3)N5O octahedra,  an edgeedge with one Ba(5)N5O octahedra, edges with two equivalent Ba(4)N5O octahedra,  an edgeedge with one Ba(7)N4O square pyramid, and  an edgeedge with one Nb(2)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 78-83°. In the eighth Ba site, Ba(8) is bonded in a 5-coordinate geometry to one N(6), one N(9), two equivalent N(1), and one O(1) atom. In the ninth Ba site, Ba(9) is bonded in a 8-coordinate geometry to one C(1), one N(1), one N(2), one N(4), one N(6), one N(8), and two equivalent N(5) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(1), one N(10), one N(2), and one N(9) atom to form NbN4 tetrahedra that share  a cornercorner with one Ba(7)N4O square pyramid,  a cornercorner with one Ba(6)N5 trigonal bipyramid,  an edgeedge with one Ba(3)N5O octahedra,  an edgeedge with one Ba(4)N5O octahedra, and  an edgeedge with one Ba(5)N5O octahedra. In the second Nb site, Nb(2) is bonded to one N(3), one N(6), one N(7), and one N(8) atom to form NbN4 tetrahedra that share  a cornercorner with one Ba(3)N5O octahedra,  a cornercorner with one Ba(4)N5O octahedra,  a cornercorner with one Ba(5)N5O octahedra,  a cornercorner with one Ba(7)N4O square pyramid, corners with three equivalent Ba(6)N5 trigonal bipyramids,  an edgeedge with one Ba(5)N5O octahedra, and  an edgeedge with one Ba(7)N4O square pyramid. The corner-sharing octahedral tilt angles range from 57-84°. C(1) is bonded in a linear geometry to one Ba(2), one Ba(9), one N(4), and one N(5) atom. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Ba(9), two equivalent Ba(8), and one Nb(1) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(5), one Ba(6), one Ba(9), and one Nb(1) atom. In the third N site, N(3) is bonded to one Ba(1), one Ba(4), one Ba(6), two equivalent Ba(7), and one Nb(2) atom to form distorted NBa5Nb octahedra that share  an edgeedge with one N(3)Ba5Nb octahedra, edges with two equivalent N(7)Ba5Nb octahedra, and edges with two equivalent O(1)Ba6 octahedra. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), one Ba(4), one Ba(6), one Ba(9), and one C(1) atom. In the fifth N site, N(5) is bonded in a 1-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(9), and one C(1) atom. In the sixth N site, N(6) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(8), one Ba(9), and one Nb(2) atom. In the seventh N site, N(7) is bonded to one Ba(6), two equivalent Ba(1), two equivalent Ba(5), and one Nb(2) atom to form distorted NBa5Nb octahedra that share corners with two equivalent O(1)Ba6 octahedra,  an edgeedge with one O(1)Ba6 octahedra, edges with two equivalent N(3)Ba5Nb octahedra, and edges with two equivalent N(7)Ba5Nb octahedra. The corner-sharing octahedral tilt angles range from 19-24°. In the eighth N site, N(8) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(5), one Ba(6), one Ba(7), one Ba(9), and one Nb(2) atom. In the ninth N site, N(9) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(4), one Ba(8), two equivalent Ba(2), and one Nb(1) atom. In the tenth N site, N(10) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(5), one Ba(7), and one Nb(1) atom. O(1) is bonded to one Ba(1), one Ba(3), one Ba(4), one Ba(5), one Ba(7), and one Ba(8) atom to form OBa6 octahedra that share corners with two equivalent N(7)Ba5Nb octahedra,  an edgeedge with one N(7)Ba5Nb octahedra, and edges with two equivalent N(3)Ba5Nb octahedra. The corner-sharing octahedral tilt angles range from 19-24°. is represented by the CIF file [CIF]
data_Ba9Nb2CN10O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.106
_cell_length_b   9.766
_cell_length_c   12.787
_cell_angle_alpha   75.929
_cell_angle_beta   85.633
_cell_angle_gamma   87.793
_symmetry_Int_Tables_number   1
_cell_volume   978.808
_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  0.469  0.621  0.128  1.0
  Ba  Ba1  1  0.499  0.678  0.579  1.0
  Ba  Ba2  1  0.016  0.070  0.723  1.0
  Ba  Ba3  1  0.984  0.930  0.277  1.0
  Ba  Ba4  1  0.462  0.930  0.274  1.0
  Ba  Ba5  1  0.011  0.383  0.893  1.0
  Ba  Ba6  1  0.531  0.379  0.872  1.0
  Ba  Ba7  1  0.733  0.291  0.159  1.0
  Ba  Ba8  1  0.256  0.014  0.002  1.0
  Ba  Ba9  1  0.501  0.322  0.421  1.0
  Ba  Ba10  1  0.267  0.709  0.841  1.0
  Ba  Ba11  1  0.538  0.070  0.726  1.0
  Ba  Ba12  1  0.172  0.581  0.382  1.0
  Ba  Ba13  1  0.828  0.419  0.618  1.0
  Ba  Ba14  1  0.964  0.761  0.619  1.0
  Ba  Ba15  1  0.744  0.986  0.998  1.0
  Ba  Ba16  1  0.989  0.617  0.107  1.0
  Ba  Ba17  1  0.036  0.239  0.381  1.0
  Nb  Nb18  1  0.730  0.635  0.337  1.0
  Nb  Nb19  1  0.270  0.365  0.663  1.0
  Nb  Nb20  1  0.731  0.703  0.880  1.0
  Nb  Nb21  1  0.269  0.297  0.120  1.0
  C  C22  1  0.261  0.939  0.534  1.0
  C  C23  1  0.739  0.061  0.466  1.0
  N  N24  1  0.145  0.326  0.546  1.0
  N  N25  1  0.805  0.454  0.301  1.0
  N  N26  1  0.195  0.546  0.699  1.0
  N  N27  1  0.458  0.169  0.084  1.0
  N  N28  1  0.542  0.831  0.916  1.0
  N  N29  1  0.697  0.076  0.372  1.0
  N  N30  1  0.786  0.055  0.557  1.0
  N  N31  1  0.214  0.945  0.443  1.0
  N  N32  1  0.707  0.634  0.748  1.0
  N  N33  1  0.262  0.468  0.002  1.0
  N  N34  1  0.940  0.808  0.876  1.0
  N  N35  1  0.738  0.532  0.998  1.0
  N  N36  1  0.293  0.366  0.252  1.0
  N  N37  1  0.506  0.368  0.622  1.0
  N  N38  1  0.758  0.795  0.205  1.0
  N  N39  1  0.242  0.205  0.795  1.0
  N  N40  1  0.060  0.192  0.124  1.0
  N  N41  1  0.303  0.924  0.628  1.0
  N  N42  1  0.494  0.632  0.378  1.0
  N  N43  1  0.855  0.674  0.454  1.0
  O  O44  1  0.783  0.201  0.821  1.0
  O  O45  1  0.217  0.799  0.179  1.0
[/CIF]
.
The crystal structure described by Ba9Nb2CN10O crystallizes in the triclinic P-1 space group. There are nine inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one N(10), one N(3), one N(6), one N(9), two equivalent N(7), and one O(1) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one C(1), one N(1), one N(2), one N(4), one N(6), and two equivalent N(9) atoms. In the third Ba site, Ba(3) is bonded to one N(1), one N(10), one N(4), one N(5), one N(8), and one O(1) atom to form distorted BaN5O octahedra that share  a cornercorner with one Ba(5)N5O octahedra,  a cornercorner with one Ba(7)N4O square pyramid,  a cornercorner with one Nb(2)N4 tetrahedra,  an edgeedge with one Ba(5)N5O octahedra, edges with two equivalent Ba(4)N5O octahedra,  an edgeedge with one Ba(7)N4O square pyramid,  an edgeedge with one Nb(1)N4 tetrahedra, and  an edgeedge with one Ba(6)N5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 34°. In the fourth Ba site, Ba(4) is bonded to one N(10), one N(3), one N(4), one N(5), one N(9), and one O(1) atom to form distorted BaN5O octahedra that share corners with two equivalent Ba(5)N5O octahedra,  a cornercorner with one Nb(2)N4 tetrahedra, edges with two equivalent Ba(3)N5O octahedra, edges with two equivalent Ba(7)N4O square pyramids,  an edgeedge with one Nb(1)N4 tetrahedra, and  an edgeedge with one Ba(6)N5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 11-17°. In the fifth Ba site, Ba(5) is bonded to one N(10), one N(2), one N(8), two equivalent N(7), and one O(1) atom to form distorted BaN5O octahedra that share  a cornercorner with one Ba(3)N5O octahedra, corners with two equivalent Ba(4)N5O octahedra,  a cornercorner with one Ba(7)N4O square pyramid,  a cornercorner with one Nb(2)N4 tetrahedra,  an edgeedge with one Ba(3)N5O octahedra,  an edgeedge with one Ba(5)N5O octahedra,  an edgeedge with one Ba(7)N4O square pyramid,  an edgeedge with one Nb(1)N4 tetrahedra,  an edgeedge with one Nb(2)N4 tetrahedra, and edges with two equivalent Ba(6)N5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-34°. In the sixth Ba site, Ba(6) is bonded to one N(2), one N(3), one N(4), one N(7), and one N(8) atom to form BaN5 trigonal bipyramids that share corners with three equivalent Ba(7)N4O square pyramids,  a cornercorner with one Nb(1)N4 tetrahedra, corners with three equivalent Nb(2)N4 tetrahedra,  an edgeedge with one Ba(3)N5O octahedra,  an edgeedge with one Ba(4)N5O octahedra, and edges with two equivalent Ba(5)N5O octahedra. In the seventh Ba site, Ba(7) is bonded to one N(10), one N(8), two equivalent N(3), and one O(1) atom to form distorted BaN4O square pyramids that share  a cornercorner with one Ba(3)N5O octahedra,  a cornercorner with one Ba(5)N5O octahedra,  a cornercorner with one Nb(1)N4 tetrahedra,  a cornercorner with one Nb(2)N4 tetrahedra, corners with three equivalent Ba(6)N5 trigonal bipyramids,  an edgeedge with one Ba(3)N5O octahedra,  an edgeedge with one Ba(5)N5O octahedra, edges with two equivalent Ba(4)N5O octahedra,  an edgeedge with one Ba(7)N4O square pyramid, and  an edgeedge with one Nb(2)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 78-83°. In the eighth Ba site, Ba(8) is bonded in a 5-coordinate geometry to one N(6), one N(9), two equivalent N(1), and one O(1) atom. In the ninth Ba site, Ba(9) is bonded in a 8-coordinate geometry to one C(1), one N(1), one N(2), one N(4), one N(6), one N(8), and two equivalent N(5) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(1), one N(10), one N(2), and one N(9) atom to form NbN4 tetrahedra that share  a cornercorner with one Ba(7)N4O square pyramid,  a cornercorner with one Ba(6)N5 trigonal bipyramid,  an edgeedge with one Ba(3)N5O octahedra,  an edgeedge with one Ba(4)N5O octahedra, and  an edgeedge with one Ba(5)N5O octahedra. In the second Nb site, Nb(2) is bonded to one N(3), one N(6), one N(7), and one N(8) atom to form NbN4 tetrahedra that share  a cornercorner with one Ba(3)N5O octahedra,  a cornercorner with one Ba(4)N5O octahedra,  a cornercorner with one Ba(5)N5O octahedra,  a cornercorner with one Ba(7)N4O square pyramid, corners with three equivalent Ba(6)N5 trigonal bipyramids,  an edgeedge with one Ba(5)N5O octahedra, and  an edgeedge with one Ba(7)N4O square pyramid. The corner-sharing octahedral tilt angles range from 57-84°. C(1) is bonded in a linear geometry to one Ba(2), one Ba(9), one N(4), and one N(5) atom. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Ba(9), two equivalent Ba(8), and one Nb(1) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(5), one Ba(6), one Ba(9), and one Nb(1) atom. In the third N site, N(3) is bonded to one Ba(1), one Ba(4), one Ba(6), two equivalent Ba(7), and one Nb(2) atom to form distorted NBa5Nb octahedra that share  an edgeedge with one N(3)Ba5Nb octahedra, edges with two equivalent N(7)Ba5Nb octahedra, and edges with two equivalent O(1)Ba6 octahedra. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), one Ba(4), one Ba(6), one Ba(9), and one C(1) atom. In the fifth N site, N(5) is bonded in a 1-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(9), and one C(1) atom. In the sixth N site, N(6) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(8), one Ba(9), and one Nb(2) atom. In the seventh N site, N(7) is bonded to one Ba(6), two equivalent Ba(1), two equivalent Ba(5), and one Nb(2) atom to form distorted NBa5Nb octahedra that share corners with two equivalent O(1)Ba6 octahedra,  an edgeedge with one O(1)Ba6 octahedra, edges with two equivalent N(3)Ba5Nb octahedra, and edges with two equivalent N(7)Ba5Nb octahedra. The corner-sharing octahedral tilt angles range from 19-24°. In the eighth N site, N(8) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(5), one Ba(6), one Ba(7), one Ba(9), and one Nb(2) atom. In the ninth N site, N(9) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(4), one Ba(8), two equivalent Ba(2), and one Nb(1) atom. In the tenth N site, N(10) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(5), one Ba(7), and one Nb(1) atom. O(1) is bonded to one Ba(1), one Ba(3), one Ba(4), one Ba(5), one Ba(7), and one Ba(8) atom to form OBa6 octahedra that share corners with two equivalent N(7)Ba5Nb octahedra,  an edgeedge with one N(7)Ba5Nb octahedra, and edges with two equivalent N(3)Ba5Nb octahedra. The corner-sharing octahedral tilt angles range from 19-24°. is represented by the CIF file [CIF]
data_Ba9Nb2CN10O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.106
_cell_length_b   9.766
_cell_length_c   12.787
_cell_angle_alpha   75.929
_cell_angle_beta   85.633
_cell_angle_gamma   87.793
_symmetry_Int_Tables_number   1
_cell_volume   978.808
_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  0.469  0.621  0.128  1.0
  Ba  Ba1  1  0.499  0.678  0.579  1.0
  Ba  Ba2  1  0.016  0.070  0.723  1.0
  Ba  Ba3  1  0.984  0.930  0.277  1.0
  Ba  Ba4  1  0.462  0.930  0.274  1.0
  Ba  Ba5  1  0.011  0.383  0.893  1.0
  Ba  Ba6  1  0.531  0.379  0.872  1.0
  Ba  Ba7  1  0.733  0.291  0.159  1.0
  Ba  Ba8  1  0.256  0.014  0.002  1.0
  Ba  Ba9  1  0.501  0.322  0.421  1.0
  Ba  Ba10  1  0.267  0.709  0.841  1.0
  Ba  Ba11  1  0.538  0.070  0.726  1.0
  Ba  Ba12  1  0.172  0.581  0.382  1.0
  Ba  Ba13  1  0.828  0.419  0.618  1.0
  Ba  Ba14  1  0.964  0.761  0.619  1.0
  Ba  Ba15  1  0.744  0.986  0.998  1.0
  Ba  Ba16  1  0.989  0.617  0.107  1.0
  Ba  Ba17  1  0.036  0.239  0.381  1.0
  Nb  Nb18  1  0.730  0.635  0.337  1.0
  Nb  Nb19  1  0.270  0.365  0.663  1.0
  Nb  Nb20  1  0.731  0.703  0.880  1.0
  Nb  Nb21  1  0.269  0.297  0.120  1.0
  C  C22  1  0.261  0.939  0.534  1.0
  C  C23  1  0.739  0.061  0.466  1.0
  N  N24  1  0.145  0.326  0.546  1.0
  N  N25  1  0.805  0.454  0.301  1.0
  N  N26  1  0.195  0.546  0.699  1.0
  N  N27  1  0.458  0.169  0.084  1.0
  N  N28  1  0.542  0.831  0.916  1.0
  N  N29  1  0.697  0.076  0.372  1.0
  N  N30  1  0.786  0.055  0.557  1.0
  N  N31  1  0.214  0.945  0.443  1.0
  N  N32  1  0.707  0.634  0.748  1.0
  N  N33  1  0.262  0.468  0.002  1.0
  N  N34  1  0.940  0.808  0.876  1.0
  N  N35  1  0.738  0.532  0.998  1.0
  N  N36  1  0.293  0.366  0.252  1.0
  N  N37  1  0.506  0.368  0.622  1.0
  N  N38  1  0.758  0.795  0.205  1.0
  N  N39  1  0.242  0.205  0.795  1.0
  N  N40  1  0.060  0.192  0.124  1.0
  N  N41  1  0.303  0.924  0.628  1.0
  N  N42  1  0.494  0.632  0.378  1.0
  N  N43  1  0.855  0.674  0.454  1.0
  O  O44  1  0.783  0.201  0.821  1.0
  O  O45  1  0.217  0.799  0.179  1.0
[/CIF]
.