The crystal structure described by BaC2(NO)2 crystallizes in the trigonal R-3c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent N(1) and six equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. C(1) is bonded in a trigonal planar geometry to two equivalent N(1) and one O(1) atom. N(1) is bonded in a bent 120 degrees geometry to one Ba(1) and two equivalent C(1) atoms. O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaC2(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.187
_cell_length_b   14.187
_cell_length_c   14.187
_cell_angle_alpha   29.326
_cell_angle_beta   29.326
_cell_angle_gamma   29.326
_symmetry_Int_Tables_number   1
_cell_volume   606.174
_cell_formula_units_Z   6
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  0.149  0.149  0.149  1.0
  Ba  Ba1  1  0.649  0.649  0.649  1.0
  Ba  Ba2  1  0.851  0.851  0.851  1.0
  Ba  Ba3  1  0.351  0.351  0.351  1.0
  Ba  Ba4  1  0.250  0.250  0.250  1.0
  Ba  Ba5  1  0.750  0.750  0.750  1.0
  C  C6  1  0.497  0.261  0.626  1.0
  C  C7  1  0.626  0.497  0.261  1.0
  C  C8  1  0.261  0.626  0.497  1.0
  C  C9  1  0.126  0.761  0.997  1.0
  C  C10  1  0.997  0.126  0.761  1.0
  C  C11  1  0.761  0.997  0.126  1.0
  C  C12  1  0.503  0.739  0.374  1.0
  C  C13  1  0.374  0.503  0.739  1.0
  C  C14  1  0.739  0.374  0.503  1.0
  C  C15  1  0.874  0.239  0.003  1.0
  C  C16  1  0.003  0.874  0.239  1.0
  C  C17  1  0.239  0.003  0.874  1.0
  N  N18  1  0.288  0.424  0.669  1.0
  N  N19  1  0.669  0.288  0.424  1.0
  N  N20  1  0.424  0.669  0.288  1.0
  N  N21  1  0.169  0.924  0.788  1.0
  N  N22  1  0.788  0.169  0.924  1.0
  N  N23  1  0.924  0.788  0.169  1.0
  N  N24  1  0.712  0.576  0.331  1.0
  N  N25  1  0.331  0.712  0.576  1.0
  N  N26  1  0.576  0.331  0.712  1.0
  N  N27  1  0.831  0.076  0.212  1.0
  N  N28  1  0.212  0.831  0.076  1.0
  N  N29  1  0.076  0.212  0.831  1.0
  O  O30  1  0.068  0.792  0.530  1.0
  O  O31  1  0.530  0.068  0.792  1.0
  O  O32  1  0.792  0.530  0.068  1.0
  O  O33  1  0.030  0.292  0.568  1.0
  O  O34  1  0.568  0.030  0.292  1.0
  O  O35  1  0.292  0.568  0.030  1.0
  O  O36  1  0.932  0.208  0.470  1.0
  O  O37  1  0.470  0.932  0.208  1.0
  O  O38  1  0.208  0.470  0.932  1.0
  O  O39  1  0.970  0.708  0.432  1.0
  O  O40  1  0.432  0.970  0.708  1.0
  O  O41  1  0.708  0.432  0.970  1.0
[/CIF]
.
The crystal structure described by BaC2(NO)2 crystallizes in the trigonal R-3c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent N(1) and six equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. C(1) is bonded in a trigonal planar geometry to two equivalent N(1) and one O(1) atom. N(1) is bonded in a bent 120 degrees geometry to one Ba(1) and two equivalent C(1) atoms. O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaC2(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.187
_cell_length_b   14.187
_cell_length_c   14.187
_cell_angle_alpha   29.326
_cell_angle_beta   29.326
_cell_angle_gamma   29.326
_symmetry_Int_Tables_number   1
_cell_volume   606.174
_cell_formula_units_Z   6
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  0.149  0.149  0.149  1.0
  Ba  Ba1  1  0.649  0.649  0.649  1.0
  Ba  Ba2  1  0.851  0.851  0.851  1.0
  Ba  Ba3  1  0.351  0.351  0.351  1.0
  Ba  Ba4  1  0.250  0.250  0.250  1.0
  Ba  Ba5  1  0.750  0.750  0.750  1.0
  C  C6  1  0.497  0.261  0.626  1.0
  C  C7  1  0.626  0.497  0.261  1.0
  C  C8  1  0.261  0.626  0.497  1.0
  C  C9  1  0.126  0.761  0.997  1.0
  C  C10  1  0.997  0.126  0.761  1.0
  C  C11  1  0.761  0.997  0.126  1.0
  C  C12  1  0.503  0.739  0.374  1.0
  C  C13  1  0.374  0.503  0.739  1.0
  C  C14  1  0.739  0.374  0.503  1.0
  C  C15  1  0.874  0.239  0.003  1.0
  C  C16  1  0.003  0.874  0.239  1.0
  C  C17  1  0.239  0.003  0.874  1.0
  N  N18  1  0.288  0.424  0.669  1.0
  N  N19  1  0.669  0.288  0.424  1.0
  N  N20  1  0.424  0.669  0.288  1.0
  N  N21  1  0.169  0.924  0.788  1.0
  N  N22  1  0.788  0.169  0.924  1.0
  N  N23  1  0.924  0.788  0.169  1.0
  N  N24  1  0.712  0.576  0.331  1.0
  N  N25  1  0.331  0.712  0.576  1.0
  N  N26  1  0.576  0.331  0.712  1.0
  N  N27  1  0.831  0.076  0.212  1.0
  N  N28  1  0.212  0.831  0.076  1.0
  N  N29  1  0.076  0.212  0.831  1.0
  O  O30  1  0.068  0.792  0.530  1.0
  O  O31  1  0.530  0.068  0.792  1.0
  O  O32  1  0.792  0.530  0.068  1.0
  O  O33  1  0.030  0.292  0.568  1.0
  O  O34  1  0.568  0.030  0.292  1.0
  O  O35  1  0.292  0.568  0.030  1.0
  O  O36  1  0.932  0.208  0.470  1.0
  O  O37  1  0.470  0.932  0.208  1.0
  O  O38  1  0.208  0.470  0.932  1.0
  O  O39  1  0.970  0.708  0.432  1.0
  O  O40  1  0.432  0.970  0.708  1.0
  O  O41  1  0.708  0.432  0.970  1.0
[/CIF]
.