The compound described by Ba3(RuN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ru site, Ru(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Ru(1), and one Ru(2) atom. In the second N site, N(2) is bonded to one Ba(2), three equivalent Ba(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted face, corner, and edge-sharing NBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 39-68°. is represented by the CIF card [CIF]
data_Ba3(RuN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.497
_cell_length_b   10.597
_cell_length_c   9.797
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   674.519
_cell_formula_units_Z   4
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  0.629  0.157  0.420  1.0
  Ba  Ba1  1  0.871  0.843  0.420  1.0
  Ba  Ba2  1  0.629  0.343  0.080  1.0
  Ba  Ba3  1  0.871  0.657  0.080  1.0
  Ba  Ba4  1  0.371  0.843  0.580  1.0
  Ba  Ba5  1  0.129  0.157  0.580  1.0
  Ba  Ba6  1  0.371  0.657  0.920  1.0
  Ba  Ba7  1  0.129  0.343  0.920  1.0
  Ba  Ba8  1  0.750  0.500  0.410  1.0
  Ba  Ba9  1  0.750  0.000  0.090  1.0
  Ba  Ba10  1  0.250  0.500  0.590  1.0
  Ba  Ba11  1  0.250  0.000  0.910  1.0
  Ru  Ru12  1  0.750  0.500  0.740  1.0
  Ru  Ru13  1  0.750  0.000  0.760  1.0
  Ru  Ru14  1  0.250  0.500  0.260  1.0
  Ru  Ru15  1  0.250  0.000  0.240  1.0
  Ru  Ru16  1  0.679  0.250  0.750  1.0
  Ru  Ru17  1  0.821  0.750  0.750  1.0
  Ru  Ru18  1  0.321  0.750  0.250  1.0
  Ru  Ru19  1  0.179  0.250  0.250  1.0
  N  N20  1  0.899  0.355  0.659  1.0
  N  N21  1  0.601  0.645  0.659  1.0
  N  N22  1  0.899  0.145  0.841  1.0
  N  N23  1  0.601  0.855  0.841  1.0
  N  N24  1  0.101  0.645  0.341  1.0
  N  N25  1  0.399  0.355  0.341  1.0
  N  N26  1  0.101  0.855  0.159  1.0
  N  N27  1  0.399  0.145  0.159  1.0
  N  N28  1  0.501  0.402  0.809  1.0
  N  N29  1  0.999  0.598  0.809  1.0
  N  N30  1  0.501  0.098  0.691  1.0
  N  N31  1  0.999  0.902  0.691  1.0
  N  N32  1  0.499  0.598  0.191  1.0
  N  N33  1  0.001  0.402  0.191  1.0
  N  N34  1  0.499  0.902  0.309  1.0
  N  N35  1  0.001  0.098  0.309  1.0
[/CIF]
.
The compound described by Ba3(RuN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ru site, Ru(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Ru(1), and one Ru(2) atom. In the second N site, N(2) is bonded to one Ba(2), three equivalent Ba(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted face, corner, and edge-sharing NBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 39-68°. is represented by the CIF card [CIF]
data_Ba3(RuN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.497
_cell_length_b   10.597
_cell_length_c   9.797
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   674.519
_cell_formula_units_Z   4
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  0.629  0.157  0.420  1.0
  Ba  Ba1  1  0.871  0.843  0.420  1.0
  Ba  Ba2  1  0.629  0.343  0.080  1.0
  Ba  Ba3  1  0.871  0.657  0.080  1.0
  Ba  Ba4  1  0.371  0.843  0.580  1.0
  Ba  Ba5  1  0.129  0.157  0.580  1.0
  Ba  Ba6  1  0.371  0.657  0.920  1.0
  Ba  Ba7  1  0.129  0.343  0.920  1.0
  Ba  Ba8  1  0.750  0.500  0.410  1.0
  Ba  Ba9  1  0.750  0.000  0.090  1.0
  Ba  Ba10  1  0.250  0.500  0.590  1.0
  Ba  Ba11  1  0.250  0.000  0.910  1.0
  Ru  Ru12  1  0.750  0.500  0.740  1.0
  Ru  Ru13  1  0.750  0.000  0.760  1.0
  Ru  Ru14  1  0.250  0.500  0.260  1.0
  Ru  Ru15  1  0.250  0.000  0.240  1.0
  Ru  Ru16  1  0.679  0.250  0.750  1.0
  Ru  Ru17  1  0.821  0.750  0.750  1.0
  Ru  Ru18  1  0.321  0.750  0.250  1.0
  Ru  Ru19  1  0.179  0.250  0.250  1.0
  N  N20  1  0.899  0.355  0.659  1.0
  N  N21  1  0.601  0.645  0.659  1.0
  N  N22  1  0.899  0.145  0.841  1.0
  N  N23  1  0.601  0.855  0.841  1.0
  N  N24  1  0.101  0.645  0.341  1.0
  N  N25  1  0.399  0.355  0.341  1.0
  N  N26  1  0.101  0.855  0.159  1.0
  N  N27  1  0.399  0.145  0.159  1.0
  N  N28  1  0.501  0.402  0.809  1.0
  N  N29  1  0.999  0.598  0.809  1.0
  N  N30  1  0.501  0.098  0.691  1.0
  N  N31  1  0.999  0.902  0.691  1.0
  N  N32  1  0.499  0.598  0.191  1.0
  N  N33  1  0.001  0.402  0.191  1.0
  N  N34  1  0.499  0.902  0.309  1.0
  N  N35  1  0.001  0.098  0.309  1.0
[/CIF]
.