The compound described by Sr5(RuN3)2 is Krennerite-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded to one N(3), two equivalent N(1), and two equivalent N(2) atoms to form distorted SrN5 trigonal bipyramids that share  a cornercorner with one Sr(3)N6 pentagonal pyramid, corners with two equivalent Sr(2)N5 trigonal bipyramids, edges with two equivalent Sr(3)N6 pentagonal pyramids, and  an edgeedge with one Sr(2)N5 trigonal bipyramid. In the third Sr site, Sr(3) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SrN6 pentagonal pyramids. Ru(1) is bonded in a 3-coordinate geometry to one N(1), one N(2), and two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(2) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing NSr5Ru octahedra. The corner-sharing octahedral tilt angles range from 17-75°. In the second N site, N(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent Ru(1) atoms. In the third N site, N(1) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Ru(1) atom to form a mixture of distorted corner, face, and edge-sharing NSr5Ru octahedra. The corner-sharing octahedral tilt angles range from 17-75°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5(RuN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.288
_cell_length_b   6.898
_cell_length_c   13.293
_cell_angle_alpha   90.000
_cell_angle_beta   100.497
_cell_angle_gamma   123.267
_symmetry_Int_Tables_number   1
_cell_volume   470.494
_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
  Sr  Sr0  1  0.127  0.802  0.999  1.0
  Sr  Sr1  1  0.873  0.675  0.501  1.0
  Sr  Sr2  1  0.873  0.198  0.001  1.0
  Sr  Sr3  1  0.127  0.325  0.499  1.0
  Sr  Sr4  1  0.318  0.059  0.718  1.0
  Sr  Sr5  1  0.682  0.741  0.782  1.0
  Sr  Sr6  1  0.682  0.941  0.282  1.0
  Sr  Sr7  1  0.318  0.259  0.218  1.0
  Sr  Sr8  1  0.000  0.383  0.750  1.0
  Sr  Sr9  1  0.000  0.617  0.250  1.0
  Ru  Ru10  1  0.538  0.869  0.558  1.0
  Ru  Ru11  1  0.462  0.331  0.942  1.0
  Ru  Ru12  1  0.462  0.131  0.442  1.0
  Ru  Ru13  1  0.538  0.669  0.058  1.0
  N  N14  1  0.889  0.992  0.624  1.0
  N  N15  1  0.111  0.103  0.876  1.0
  N  N16  1  0.111  0.008  0.376  1.0
  N  N17  1  0.889  0.897  0.124  1.0
  N  N18  1  0.295  0.691  0.642  1.0
  N  N19  1  0.705  0.396  0.858  1.0
  N  N20  1  0.705  0.309  0.358  1.0
  N  N21  1  0.295  0.604  0.142  1.0
  N  N22  1  0.584  0.255  0.579  1.0
  N  N23  1  0.416  0.671  0.921  1.0
  N  N24  1  0.416  0.745  0.421  1.0
  N  N25  1  0.584  0.329  0.079  1.0
[/CIF]
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The compound described by Sr5(RuN3)2 is Krennerite-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded to one N(3), two equivalent N(1), and two equivalent N(2) atoms to form distorted SrN5 trigonal bipyramids that share  a cornercorner with one Sr(3)N6 pentagonal pyramid, corners with two equivalent Sr(2)N5 trigonal bipyramids, edges with two equivalent Sr(3)N6 pentagonal pyramids, and  an edgeedge with one Sr(2)N5 trigonal bipyramid. In the third Sr site, Sr(3) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SrN6 pentagonal pyramids. Ru(1) is bonded in a 3-coordinate geometry to one N(1), one N(2), and two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(2) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing NSr5Ru octahedra. The corner-sharing octahedral tilt angles range from 17-75°. In the second N site, N(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent Ru(1) atoms. In the third N site, N(1) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Ru(1) atom to form a mixture of distorted corner, face, and edge-sharing NSr5Ru octahedra. The corner-sharing octahedral tilt angles range from 17-75°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5(RuN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.288
_cell_length_b   6.898
_cell_length_c   13.293
_cell_angle_alpha   90.000
_cell_angle_beta   100.497
_cell_angle_gamma   123.267
_symmetry_Int_Tables_number   1
_cell_volume   470.494
_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
  Sr  Sr0  1  0.127  0.802  0.999  1.0
  Sr  Sr1  1  0.873  0.675  0.501  1.0
  Sr  Sr2  1  0.873  0.198  0.001  1.0
  Sr  Sr3  1  0.127  0.325  0.499  1.0
  Sr  Sr4  1  0.318  0.059  0.718  1.0
  Sr  Sr5  1  0.682  0.741  0.782  1.0
  Sr  Sr6  1  0.682  0.941  0.282  1.0
  Sr  Sr7  1  0.318  0.259  0.218  1.0
  Sr  Sr8  1  0.000  0.383  0.750  1.0
  Sr  Sr9  1  0.000  0.617  0.250  1.0
  Ru  Ru10  1  0.538  0.869  0.558  1.0
  Ru  Ru11  1  0.462  0.331  0.942  1.0
  Ru  Ru12  1  0.462  0.131  0.442  1.0
  Ru  Ru13  1  0.538  0.669  0.058  1.0
  N  N14  1  0.889  0.992  0.624  1.0
  N  N15  1  0.111  0.103  0.876  1.0
  N  N16  1  0.111  0.008  0.376  1.0
  N  N17  1  0.889  0.897  0.124  1.0
  N  N18  1  0.295  0.691  0.642  1.0
  N  N19  1  0.705  0.396  0.858  1.0
  N  N20  1  0.705  0.309  0.358  1.0
  N  N21  1  0.295  0.604  0.142  1.0
  N  N22  1  0.584  0.255  0.579  1.0
  N  N23  1  0.416  0.671  0.921  1.0
  N  N24  1  0.416  0.745  0.421  1.0
  N  N25  1  0.584  0.329  0.079  1.0
[/CIF]
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