The material structure described by CsRuN2 crystallizes in the tetragonal I4_1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 12-coordinate geometry to one N(4), two equivalent N(1), two equivalent N(5), three equivalent N(2), and four equivalent N(3) atoms. In the second Cs site, Cs(2) is bonded in a 12-coordinate geometry to one N(3), two equivalent N(2), two equivalent N(5), three equivalent N(1), and four equivalent N(4) atoms. In the third Cs site, Cs(3) is bonded in a 12-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent N(3), two equivalent N(4), and four equivalent N(5) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form corner-sharing RuN4 tetrahedra. In the second Ru site, Ru(2) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form corner-sharing RuN4 tetrahedra. In the third Ru site, Ru(3) is bonded to one N(2), one N(5), and two equivalent N(4) atoms to form corner-sharing RuN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Cs(3), two equivalent Cs(1), three equivalent Cs(2), one Ru(1), and one Ru(2) atom. In the second N site, N(2) is bonded in a linear geometry to one Cs(3), two equivalent Cs(2), three equivalent Cs(1), one Ru(1), and one Ru(3) atom. In the third N site, N(3) is bonded in a linear geometry to one Cs(2), one Cs(3), four equivalent Cs(1), and two equivalent Ru(2) atoms. In the fourth N site, N(4) is bonded in a linear geometry to one Cs(1), one Cs(3), four equivalent Cs(2), and two equivalent Ru(3) atoms. In the fifth N site, N(5) is bonded in a linear geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), one Ru(2), and one Ru(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsRuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.530
_cell_length_b   10.614
_cell_length_c   10.614
_cell_angle_alpha   80.708
_cell_angle_beta   66.308
_cell_angle_gamma   66.308
_symmetry_Int_Tables_number   1
_cell_volume   805.822
_cell_formula_units_Z   10
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
  Cs  Cs0  1  0.369  0.597  0.201  1.0
  Cs  Cs1  1  0.167  0.403  0.799  1.0
  Cs  Cs2  1  0.820  0.299  0.097  1.0
  Cs  Cs3  1  0.216  0.701  0.903  1.0
  Cs  Cs4  1  0.613  0.098  0.701  1.0
  Cs  Cs5  1  0.412  0.902  0.299  1.0
  Cs  Cs6  1  0.564  0.799  0.598  1.0
  Cs  Cs7  1  0.961  0.201  0.402  1.0
  Cs  Cs8  1  0.015  0.500  0.500  1.0
  Cs  Cs9  1  0.765  0.000  0.000  1.0
  N  N10  1  0.491  0.850  0.948  1.0
  N  N11  1  0.289  0.150  0.052  1.0
  N  N12  1  0.689  0.552  0.350  1.0
  N  N13  1  0.591  0.448  0.650  1.0
  N  N14  1  0.491  0.350  0.448  1.0
  N  N15  1  0.290  0.650  0.552  1.0
  N  N16  1  0.190  0.052  0.850  1.0
  N  N17  1  0.091  0.948  0.150  1.0
  N  N18  1  0.689  0.550  0.850  1.0
  N  N19  1  0.089  0.450  0.150  1.0
  N  N20  1  0.789  0.650  0.050  1.0
  N  N21  1  0.488  0.350  0.950  1.0
  N  N22  1  0.691  0.050  0.351  1.0
  N  N23  1  0.092  0.950  0.649  1.0
  N  N24  1  0.292  0.149  0.550  1.0
  N  N25  1  0.991  0.851  0.450  1.0
  N  N26  1  0.890  0.750  0.250  1.0
  N  N27  1  0.890  0.250  0.750  1.0
  N  N28  1  0.390  0.250  0.250  1.0
  N  N29  1  0.891  0.750  0.750  1.0
  Ru  Ru30  1  0.265  0.000  0.000  1.0
  Ru  Ru31  1  0.515  0.500  0.500  1.0
  Ru  Ru32  1  0.715  0.700  0.899  1.0
  Ru  Ru33  1  0.314  0.300  0.101  1.0
  Ru  Ru34  1  0.864  0.601  0.200  1.0
  Ru  Ru35  1  0.665  0.399  0.800  1.0
  Ru  Ru36  1  0.916  0.900  0.300  1.0
  Ru  Ru37  1  0.116  0.100  0.700  1.0
  Ru  Ru38  1  0.466  0.200  0.400  1.0
  Ru  Ru39  1  0.066  0.800  0.600  1.0
[/CIF]
.
The material structure described by CsRuN2 crystallizes in the tetragonal I4_1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 12-coordinate geometry to one N(4), two equivalent N(1), two equivalent N(5), three equivalent N(2), and four equivalent N(3) atoms. In the second Cs site, Cs(2) is bonded in a 12-coordinate geometry to one N(3), two equivalent N(2), two equivalent N(5), three equivalent N(1), and four equivalent N(4) atoms. In the third Cs site, Cs(3) is bonded in a 12-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent N(3), two equivalent N(4), and four equivalent N(5) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form corner-sharing RuN4 tetrahedra. In the second Ru site, Ru(2) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form corner-sharing RuN4 tetrahedra. In the third Ru site, Ru(3) is bonded to one N(2), one N(5), and two equivalent N(4) atoms to form corner-sharing RuN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Cs(3), two equivalent Cs(1), three equivalent Cs(2), one Ru(1), and one Ru(2) atom. In the second N site, N(2) is bonded in a linear geometry to one Cs(3), two equivalent Cs(2), three equivalent Cs(1), one Ru(1), and one Ru(3) atom. In the third N site, N(3) is bonded in a linear geometry to one Cs(2), one Cs(3), four equivalent Cs(1), and two equivalent Ru(2) atoms. In the fourth N site, N(4) is bonded in a linear geometry to one Cs(1), one Cs(3), four equivalent Cs(2), and two equivalent Ru(3) atoms. In the fifth N site, N(5) is bonded in a linear geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), one Ru(2), and one Ru(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsRuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.530
_cell_length_b   10.614
_cell_length_c   10.614
_cell_angle_alpha   80.708
_cell_angle_beta   66.308
_cell_angle_gamma   66.308
_symmetry_Int_Tables_number   1
_cell_volume   805.822
_cell_formula_units_Z   10
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
  Cs  Cs0  1  0.369  0.597  0.201  1.0
  Cs  Cs1  1  0.167  0.403  0.799  1.0
  Cs  Cs2  1  0.820  0.299  0.097  1.0
  Cs  Cs3  1  0.216  0.701  0.903  1.0
  Cs  Cs4  1  0.613  0.098  0.701  1.0
  Cs  Cs5  1  0.412  0.902  0.299  1.0
  Cs  Cs6  1  0.564  0.799  0.598  1.0
  Cs  Cs7  1  0.961  0.201  0.402  1.0
  Cs  Cs8  1  0.015  0.500  0.500  1.0
  Cs  Cs9  1  0.765  0.000  0.000  1.0
  N  N10  1  0.491  0.850  0.948  1.0
  N  N11  1  0.289  0.150  0.052  1.0
  N  N12  1  0.689  0.552  0.350  1.0
  N  N13  1  0.591  0.448  0.650  1.0
  N  N14  1  0.491  0.350  0.448  1.0
  N  N15  1  0.290  0.650  0.552  1.0
  N  N16  1  0.190  0.052  0.850  1.0
  N  N17  1  0.091  0.948  0.150  1.0
  N  N18  1  0.689  0.550  0.850  1.0
  N  N19  1  0.089  0.450  0.150  1.0
  N  N20  1  0.789  0.650  0.050  1.0
  N  N21  1  0.488  0.350  0.950  1.0
  N  N22  1  0.691  0.050  0.351  1.0
  N  N23  1  0.092  0.950  0.649  1.0
  N  N24  1  0.292  0.149  0.550  1.0
  N  N25  1  0.991  0.851  0.450  1.0
  N  N26  1  0.890  0.750  0.250  1.0
  N  N27  1  0.890  0.250  0.750  1.0
  N  N28  1  0.390  0.250  0.250  1.0
  N  N29  1  0.891  0.750  0.750  1.0
  Ru  Ru30  1  0.265  0.000  0.000  1.0
  Ru  Ru31  1  0.515  0.500  0.500  1.0
  Ru  Ru32  1  0.715  0.700  0.899  1.0
  Ru  Ru33  1  0.314  0.300  0.101  1.0
  Ru  Ru34  1  0.864  0.601  0.200  1.0
  Ru  Ru35  1  0.665  0.399  0.800  1.0
  Ru  Ru36  1  0.916  0.900  0.300  1.0
  Ru  Ru37  1  0.116  0.100  0.700  1.0
  Ru  Ru38  1  0.466  0.200  0.400  1.0
  Ru  Ru39  1  0.066  0.800  0.600  1.0
[/CIF]
.