The material structure described by Ba3Ru3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one N(1), one N(3), one N(4), one N(5), and two equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one N(1), one N(2), one N(3), one N(4), and three equivalent N(5) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing RuN4 tetrahedra. In the second Ru site, Ru(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing RuN4 trigonal pyramids. In the third Ru site, Ru(3) is bonded in a distorted trigonal planar geometry to one N(2), one N(4), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ru(1), and one Ru(2) atom. In the second N site, N(2) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Ru(2), and one Ru(3) atom to form a mixture of distorted corner and edge-sharing NBa4Ru2 octahedra. The corner-sharing octahedral tilt angles are 28°. In the third N site, N(3) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), and two equivalent Ru(1) atoms to form a mixture of distorted corner and edge-sharing NBa4Ru2 octahedra. The corner-sharing octahedral tilt angles are 28°. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ru(3), and two equivalent Ru(2) atoms. In the fifth N site, N(5) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Ru(1), and one Ru(3) atom. is represented by the CIF card [CIF]
data_Ba3Ru3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.121
_cell_length_b   8.133
_cell_length_c   9.158
_cell_angle_alpha   104.852
_cell_angle_beta   104.816
_cell_angle_gamma   103.038
_symmetry_Int_Tables_number   1
_cell_volume   404.836
_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  0.757  0.427  0.612  1.0
  Ba  Ba1  1  0.243  0.573  0.388  1.0
  Ba  Ba2  1  0.655  0.863  0.879  1.0
  Ba  Ba3  1  0.345  0.137  0.121  1.0
  Ba  Ba4  1  0.719  0.712  0.231  1.0
  Ba  Ba5  1  0.281  0.288  0.769  1.0
  Ru  Ru6  1  0.893  0.335  0.989  1.0
  Ru  Ru7  1  0.107  0.665  0.011  1.0
  Ru  Ru8  1  0.694  0.985  0.584  1.0
  Ru  Ru9  1  0.306  0.015  0.416  1.0
  Ru  Ru10  1  0.077  0.840  0.670  1.0
  Ru  Ru11  1  0.923  0.160  0.330  1.0
  N  N12  1  0.831  0.163  0.789  1.0
  N  N13  1  0.169  0.837  0.211  1.0
  N  N14  1  0.730  0.739  0.555  1.0
  N  N15  1  0.270  0.261  0.445  1.0
  N  N16  1  0.755  0.527  0.928  1.0
  N  N17  1  0.245  0.473  0.072  1.0
  N  N18  1  0.338  0.938  0.605  1.0
  N  N19  1  0.662  0.062  0.395  1.0
  N  N20  1  0.144  0.772  0.852  1.0
  N  N21  1  0.856  0.228  0.148  1.0
[/CIF]
.
The material structure described by Ba3Ru3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one N(1), one N(3), one N(4), one N(5), and two equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one N(1), one N(2), one N(3), one N(4), and three equivalent N(5) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing RuN4 tetrahedra. In the second Ru site, Ru(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing RuN4 trigonal pyramids. In the third Ru site, Ru(3) is bonded in a distorted trigonal planar geometry to one N(2), one N(4), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ru(1), and one Ru(2) atom. In the second N site, N(2) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Ru(2), and one Ru(3) atom to form a mixture of distorted corner and edge-sharing NBa4Ru2 octahedra. The corner-sharing octahedral tilt angles are 28°. In the third N site, N(3) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), and two equivalent Ru(1) atoms to form a mixture of distorted corner and edge-sharing NBa4Ru2 octahedra. The corner-sharing octahedral tilt angles are 28°. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ru(3), and two equivalent Ru(2) atoms. In the fifth N site, N(5) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Ru(1), and one Ru(3) atom. is represented by the CIF card [CIF]
data_Ba3Ru3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.121
_cell_length_b   8.133
_cell_length_c   9.158
_cell_angle_alpha   104.852
_cell_angle_beta   104.816
_cell_angle_gamma   103.038
_symmetry_Int_Tables_number   1
_cell_volume   404.836
_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  0.757  0.427  0.612  1.0
  Ba  Ba1  1  0.243  0.573  0.388  1.0
  Ba  Ba2  1  0.655  0.863  0.879  1.0
  Ba  Ba3  1  0.345  0.137  0.121  1.0
  Ba  Ba4  1  0.719  0.712  0.231  1.0
  Ba  Ba5  1  0.281  0.288  0.769  1.0
  Ru  Ru6  1  0.893  0.335  0.989  1.0
  Ru  Ru7  1  0.107  0.665  0.011  1.0
  Ru  Ru8  1  0.694  0.985  0.584  1.0
  Ru  Ru9  1  0.306  0.015  0.416  1.0
  Ru  Ru10  1  0.077  0.840  0.670  1.0
  Ru  Ru11  1  0.923  0.160  0.330  1.0
  N  N12  1  0.831  0.163  0.789  1.0
  N  N13  1  0.169  0.837  0.211  1.0
  N  N14  1  0.730  0.739  0.555  1.0
  N  N15  1  0.270  0.261  0.445  1.0
  N  N16  1  0.755  0.527  0.928  1.0
  N  N17  1  0.245  0.473  0.072  1.0
  N  N18  1  0.338  0.938  0.605  1.0
  N  N19  1  0.662  0.062  0.395  1.0
  N  N20  1  0.144  0.772  0.852  1.0
  N  N21  1  0.856  0.228  0.148  1.0
[/CIF]
.