The material structure described by BaC7N10 crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 13-coordinate geometry to one N(2), one N(3), one N(5), one N(8), one N(9), two equivalent N(1), two equivalent N(4), two equivalent N(6), and two equivalent N(7) atoms. There are seven inequivalent C sites. In the first C site, C(1) is bonded to one N(1), one N(2), one N(3), and one N(6) atom to form a mixture of corner and edge-sharing CN4 tetrahedra. In the second C site, C(2) is bonded to one N(2), one N(3), one N(4), and one N(6) atom to form a mixture of corner and edge-sharing CN4 tetrahedra. In the third C site, C(3) is bonded to one N(4), one N(5), one N(7), and one N(8) atom to form corner-sharing CN4 tetrahedra. In the fourth C site, C(4) is bonded to one N(10), one N(2), one N(7), and one N(9) atom to form corner-sharing CN4 tetrahedra. In the fifth C site, C(5) is bonded to one N(1), one N(7), one N(8), and one N(9) atom to form corner-sharing CN4 tetrahedra. In the sixth C site, C(6) is bonded to one N(10), one N(3), one N(5), and one N(8) atom to form corner-sharing CN4 tetrahedra. In the seventh C site, C(7) is bonded to one N(10), one N(5), one N(6), and one N(9) atom to form corner-sharing CN4 tetrahedra. There are ten inequivalent N sites. In the first N site, N(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one C(4), one C(5), and one C(7) atom. In the second N site, N(10) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(7) atom. In the third N site, N(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one C(1), and one C(5) atom. In the fourth N site, N(2) is bonded in a 3-coordinate geometry to one Ba(1), one C(1), one C(2), and one C(4) atom. In the fifth N site, N(3) is bonded in a 3-coordinate geometry to one Ba(1), one C(1), one C(2), and one C(6) atom. In the sixth N site, N(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one C(2), and one C(3) atom. In the seventh N site, N(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one C(3), one C(6), and one C(7) atom. In the eighth N site, N(6) is bonded in a trigonal planar geometry to two equivalent Ba(1), one C(1), one C(2), and one C(7) atom. In the ninth N site, N(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one C(3), one C(4), and one C(5) atom. In the tenth N site, N(8) is bonded in a distorted trigonal planar geometry to one Ba(1), one C(3), one C(5), and one C(6) atom. is represented by the CIF card [CIF]
data_BaC7N10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.916
_cell_length_b   5.731
_cell_length_c   8.286
_cell_angle_alpha   90.000
_cell_angle_beta   106.649
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.196
_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  0.957  0.124  0.672  1.0
  Ba  Ba1  1  0.957  0.876  0.172  1.0
  C  C2  1  0.537  0.974  0.828  1.0
  C  C3  1  0.537  0.026  0.328  1.0
  C  C4  1  0.362  0.031  0.021  1.0
  C  C5  1  0.362  0.969  0.521  1.0
  C  C6  1  0.114  0.386  0.073  1.0
  C  C7  1  0.114  0.614  0.573  1.0
  C  C8  1  0.663  0.366  0.989  1.0
  C  C9  1  0.663  0.634  0.489  1.0
  C  C10  1  0.837  0.633  0.813  1.0
  C  C11  1  0.837  0.367  0.313  1.0
  C  C12  1  0.297  0.623  0.886  1.0
  C  C13  1  0.297  0.377  0.386  1.0
  C  C14  1  0.483  0.379  0.687  1.0
  C  C15  1  0.483  0.621  0.187  1.0
  N  N16  1  0.742  0.840  0.837  1.0
  N  N17  1  0.742  0.160  0.337  1.0
  N  N18  1  0.570  0.129  0.975  1.0
  N  N19  1  0.570  0.871  0.475  1.0
  N  N20  1  0.322  0.873  0.870  1.0
  N  N21  1  0.322  0.127  0.370  1.0
  N  N22  1  0.166  0.172  0.014  1.0
  N  N23  1  0.166  0.828  0.514  1.0
  N  N24  1  0.285  0.506  0.725  1.0
  N  N25  1  0.285  0.494  0.225  1.0
  N  N26  1  0.447  0.116  0.675  1.0
  N  N27  1  0.447  0.884  0.175  1.0
  N  N28  1  0.883  0.395  0.122  1.0
  N  N29  1  0.883  0.605  0.622  1.0
  N  N30  1  0.080  0.588  0.938  1.0
  N  N31  1  0.080  0.412  0.438  1.0
  N  N32  1  0.700  0.416  0.823  1.0
  N  N33  1  0.700  0.584  0.323  1.0
  N  N34  1  0.497  0.539  0.023  1.0
  N  N35  1  0.497  0.461  0.523  1.0
[/CIF]
.
The material structure described by BaC7N10 crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 13-coordinate geometry to one N(2), one N(3), one N(5), one N(8), one N(9), two equivalent N(1), two equivalent N(4), two equivalent N(6), and two equivalent N(7) atoms. There are seven inequivalent C sites. In the first C site, C(1) is bonded to one N(1), one N(2), one N(3), and one N(6) atom to form a mixture of corner and edge-sharing CN4 tetrahedra. In the second C site, C(2) is bonded to one N(2), one N(3), one N(4), and one N(6) atom to form a mixture of corner and edge-sharing CN4 tetrahedra. In the third C site, C(3) is bonded to one N(4), one N(5), one N(7), and one N(8) atom to form corner-sharing CN4 tetrahedra. In the fourth C site, C(4) is bonded to one N(10), one N(2), one N(7), and one N(9) atom to form corner-sharing CN4 tetrahedra. In the fifth C site, C(5) is bonded to one N(1), one N(7), one N(8), and one N(9) atom to form corner-sharing CN4 tetrahedra. In the sixth C site, C(6) is bonded to one N(10), one N(3), one N(5), and one N(8) atom to form corner-sharing CN4 tetrahedra. In the seventh C site, C(7) is bonded to one N(10), one N(5), one N(6), and one N(9) atom to form corner-sharing CN4 tetrahedra. There are ten inequivalent N sites. In the first N site, N(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one C(4), one C(5), and one C(7) atom. In the second N site, N(10) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(7) atom. In the third N site, N(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one C(1), and one C(5) atom. In the fourth N site, N(2) is bonded in a 3-coordinate geometry to one Ba(1), one C(1), one C(2), and one C(4) atom. In the fifth N site, N(3) is bonded in a 3-coordinate geometry to one Ba(1), one C(1), one C(2), and one C(6) atom. In the sixth N site, N(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one C(2), and one C(3) atom. In the seventh N site, N(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one C(3), one C(6), and one C(7) atom. In the eighth N site, N(6) is bonded in a trigonal planar geometry to two equivalent Ba(1), one C(1), one C(2), and one C(7) atom. In the ninth N site, N(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one C(3), one C(4), and one C(5) atom. In the tenth N site, N(8) is bonded in a distorted trigonal planar geometry to one Ba(1), one C(3), one C(5), and one C(6) atom. is represented by the CIF card [CIF]
data_BaC7N10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.916
_cell_length_b   5.731
_cell_length_c   8.286
_cell_angle_alpha   90.000
_cell_angle_beta   106.649
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.196
_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  0.957  0.124  0.672  1.0
  Ba  Ba1  1  0.957  0.876  0.172  1.0
  C  C2  1  0.537  0.974  0.828  1.0
  C  C3  1  0.537  0.026  0.328  1.0
  C  C4  1  0.362  0.031  0.021  1.0
  C  C5  1  0.362  0.969  0.521  1.0
  C  C6  1  0.114  0.386  0.073  1.0
  C  C7  1  0.114  0.614  0.573  1.0
  C  C8  1  0.663  0.366  0.989  1.0
  C  C9  1  0.663  0.634  0.489  1.0
  C  C10  1  0.837  0.633  0.813  1.0
  C  C11  1  0.837  0.367  0.313  1.0
  C  C12  1  0.297  0.623  0.886  1.0
  C  C13  1  0.297  0.377  0.386  1.0
  C  C14  1  0.483  0.379  0.687  1.0
  C  C15  1  0.483  0.621  0.187  1.0
  N  N16  1  0.742  0.840  0.837  1.0
  N  N17  1  0.742  0.160  0.337  1.0
  N  N18  1  0.570  0.129  0.975  1.0
  N  N19  1  0.570  0.871  0.475  1.0
  N  N20  1  0.322  0.873  0.870  1.0
  N  N21  1  0.322  0.127  0.370  1.0
  N  N22  1  0.166  0.172  0.014  1.0
  N  N23  1  0.166  0.828  0.514  1.0
  N  N24  1  0.285  0.506  0.725  1.0
  N  N25  1  0.285  0.494  0.225  1.0
  N  N26  1  0.447  0.116  0.675  1.0
  N  N27  1  0.447  0.884  0.175  1.0
  N  N28  1  0.883  0.395  0.122  1.0
  N  N29  1  0.883  0.605  0.622  1.0
  N  N30  1  0.080  0.588  0.938  1.0
  N  N31  1  0.080  0.412  0.438  1.0
  N  N32  1  0.700  0.416  0.823  1.0
  N  N33  1  0.700  0.584  0.323  1.0
  N  N34  1  0.497  0.539  0.023  1.0
  N  N35  1  0.497  0.461  0.523  1.0
[/CIF]
.