The crystal structure described by Ba3(RuN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Ba site, Ba(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted BaN6 octahedra that share corners with four equivalent Ru(1)N4 tetrahedra, edges with two equivalent Ba(2)N6 octahedra, and edges with four equivalent Ru(1)N4 tetrahedra. Ru(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted RuN4 tetrahedra that share corners with two equivalent Ba(2)N6 octahedra, corners with two equivalent Ru(1)N4 tetrahedra, edges with two equivalent Ba(2)N6 octahedra, and  an edgeedge with one Ru(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-48°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Ba(2), four equivalent Ba(1), and two equivalent Ru(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ru(1) atoms. is represented by the CIF card [CIF]
data_Ba3(RuN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.779
_cell_length_b   9.480
_cell_length_c   5.743
_cell_angle_alpha   90.000
_cell_angle_beta   94.159
_cell_angle_gamma   127.541
_symmetry_Int_Tables_number   1
_cell_volume   334.383
_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  0.255  0.993  0.045  1.0
  Ba  Ba1  1  0.745  0.738  0.455  1.0
  Ba  Ba2  1  0.745  0.007  0.955  1.0
  Ba  Ba3  1  0.255  0.262  0.545  1.0
  Ba  Ba4  1  0.000  0.594  0.750  1.0
  Ba  Ba5  1  0.000  0.406  0.250  1.0
  Ru  Ru6  1  0.578  0.160  0.573  1.0
  Ru  Ru7  1  0.422  0.582  0.927  1.0
  Ru  Ru8  1  0.422  0.840  0.427  1.0
  Ru  Ru9  1  0.578  0.418  0.073  1.0
  N  N10  1  0.264  0.936  0.542  1.0
  N  N11  1  0.736  0.672  0.958  1.0
  N  N12  1  0.736  0.064  0.458  1.0
  N  N13  1  0.264  0.328  0.042  1.0
  N  N14  1  0.642  0.272  0.892  1.0
  N  N15  1  0.358  0.631  0.608  1.0
  N  N16  1  0.358  0.728  0.108  1.0
  N  N17  1  0.642  0.369  0.392  1.0
[/CIF]
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The crystal structure described by Ba3(RuN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Ba site, Ba(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted BaN6 octahedra that share corners with four equivalent Ru(1)N4 tetrahedra, edges with two equivalent Ba(2)N6 octahedra, and edges with four equivalent Ru(1)N4 tetrahedra. Ru(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted RuN4 tetrahedra that share corners with two equivalent Ba(2)N6 octahedra, corners with two equivalent Ru(1)N4 tetrahedra, edges with two equivalent Ba(2)N6 octahedra, and  an edgeedge with one Ru(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-48°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Ba(2), four equivalent Ba(1), and two equivalent Ru(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ru(1) atoms. is represented by the CIF card [CIF]
data_Ba3(RuN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.779
_cell_length_b   9.480
_cell_length_c   5.743
_cell_angle_alpha   90.000
_cell_angle_beta   94.159
_cell_angle_gamma   127.541
_symmetry_Int_Tables_number   1
_cell_volume   334.383
_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  0.255  0.993  0.045  1.0
  Ba  Ba1  1  0.745  0.738  0.455  1.0
  Ba  Ba2  1  0.745  0.007  0.955  1.0
  Ba  Ba3  1  0.255  0.262  0.545  1.0
  Ba  Ba4  1  0.000  0.594  0.750  1.0
  Ba  Ba5  1  0.000  0.406  0.250  1.0
  Ru  Ru6  1  0.578  0.160  0.573  1.0
  Ru  Ru7  1  0.422  0.582  0.927  1.0
  Ru  Ru8  1  0.422  0.840  0.427  1.0
  Ru  Ru9  1  0.578  0.418  0.073  1.0
  N  N10  1  0.264  0.936  0.542  1.0
  N  N11  1  0.736  0.672  0.958  1.0
  N  N12  1  0.736  0.064  0.458  1.0
  N  N13  1  0.264  0.328  0.042  1.0
  N  N14  1  0.642  0.272  0.892  1.0
  N  N15  1  0.358  0.631  0.608  1.0
  N  N16  1  0.358  0.728  0.108  1.0
  N  N17  1  0.642  0.369  0.392  1.0
[/CIF]
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