The crystal structure described by Sr3(RuN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. In the second Sr site, Sr(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 4-coordinate 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 Sr(1), two equivalent Sr(2), one Ru(1), and one Ru(2) atom. In the second N site, N(2) is bonded to one Sr(2), three equivalent Sr(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted corner, edge, and face-sharing NSr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 34-77°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3(RuN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.258
_cell_length_b   10.442
_cell_length_c   9.164
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   598.836
_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
  Sr  Sr0  1  0.626  0.155  0.423  1.0
  Sr  Sr1  1  0.874  0.845  0.423  1.0
  Sr  Sr2  1  0.626  0.345  0.077  1.0
  Sr  Sr3  1  0.874  0.655  0.077  1.0
  Sr  Sr4  1  0.374  0.845  0.577  1.0
  Sr  Sr5  1  0.126  0.155  0.577  1.0
  Sr  Sr6  1  0.374  0.655  0.923  1.0
  Sr  Sr7  1  0.126  0.345  0.923  1.0
  Sr  Sr8  1  0.750  0.500  0.405  1.0
  Sr  Sr9  1  0.750  0.000  0.095  1.0
  Sr  Sr10  1  0.250  0.500  0.595  1.0
  Sr  Sr11  1  0.250  0.000  0.905  1.0
  Ru  Ru12  1  0.750  0.500  0.744  1.0
  Ru  Ru13  1  0.750  0.000  0.756  1.0
  Ru  Ru14  1  0.250  0.500  0.256  1.0
  Ru  Ru15  1  0.250  0.000  0.244  1.0
  Ru  Ru16  1  0.694  0.250  0.750  1.0
  Ru  Ru17  1  0.806  0.750  0.750  1.0
  Ru  Ru18  1  0.306  0.750  0.250  1.0
  Ru  Ru19  1  0.194  0.250  0.250  1.0
  N  N20  1  0.906  0.357  0.647  1.0
  N  N21  1  0.594  0.643  0.647  1.0
  N  N22  1  0.906  0.143  0.853  1.0
  N  N23  1  0.594  0.857  0.853  1.0
  N  N24  1  0.094  0.643  0.353  1.0
  N  N25  1  0.406  0.357  0.353  1.0
  N  N26  1  0.094  0.857  0.147  1.0
  N  N27  1  0.406  0.143  0.147  1.0
  N  N28  1  0.481  0.401  0.811  1.0
  N  N29  1  0.019  0.599  0.811  1.0
  N  N30  1  0.481  0.099  0.689  1.0
  N  N31  1  0.019  0.901  0.689  1.0
  N  N32  1  0.519  0.599  0.189  1.0
  N  N33  1  0.981  0.401  0.189  1.0
  N  N34  1  0.519  0.901  0.311  1.0
  N  N35  1  0.981  0.099  0.311  1.0
[/CIF]
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The crystal structure described by Sr3(RuN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. In the second Sr site, Sr(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 4-coordinate 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 Sr(1), two equivalent Sr(2), one Ru(1), and one Ru(2) atom. In the second N site, N(2) is bonded to one Sr(2), three equivalent Sr(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted corner, edge, and face-sharing NSr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 34-77°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3(RuN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.258
_cell_length_b   10.442
_cell_length_c   9.164
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   598.836
_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
  Sr  Sr0  1  0.626  0.155  0.423  1.0
  Sr  Sr1  1  0.874  0.845  0.423  1.0
  Sr  Sr2  1  0.626  0.345  0.077  1.0
  Sr  Sr3  1  0.874  0.655  0.077  1.0
  Sr  Sr4  1  0.374  0.845  0.577  1.0
  Sr  Sr5  1  0.126  0.155  0.577  1.0
  Sr  Sr6  1  0.374  0.655  0.923  1.0
  Sr  Sr7  1  0.126  0.345  0.923  1.0
  Sr  Sr8  1  0.750  0.500  0.405  1.0
  Sr  Sr9  1  0.750  0.000  0.095  1.0
  Sr  Sr10  1  0.250  0.500  0.595  1.0
  Sr  Sr11  1  0.250  0.000  0.905  1.0
  Ru  Ru12  1  0.750  0.500  0.744  1.0
  Ru  Ru13  1  0.750  0.000  0.756  1.0
  Ru  Ru14  1  0.250  0.500  0.256  1.0
  Ru  Ru15  1  0.250  0.000  0.244  1.0
  Ru  Ru16  1  0.694  0.250  0.750  1.0
  Ru  Ru17  1  0.806  0.750  0.750  1.0
  Ru  Ru18  1  0.306  0.750  0.250  1.0
  Ru  Ru19  1  0.194  0.250  0.250  1.0
  N  N20  1  0.906  0.357  0.647  1.0
  N  N21  1  0.594  0.643  0.647  1.0
  N  N22  1  0.906  0.143  0.853  1.0
  N  N23  1  0.594  0.857  0.853  1.0
  N  N24  1  0.094  0.643  0.353  1.0
  N  N25  1  0.406  0.357  0.353  1.0
  N  N26  1  0.094  0.857  0.147  1.0
  N  N27  1  0.406  0.143  0.147  1.0
  N  N28  1  0.481  0.401  0.811  1.0
  N  N29  1  0.019  0.599  0.811  1.0
  N  N30  1  0.481  0.099  0.689  1.0
  N  N31  1  0.019  0.901  0.689  1.0
  N  N32  1  0.519  0.599  0.189  1.0
  N  N33  1  0.981  0.401  0.189  1.0
  N  N34  1  0.519  0.901  0.311  1.0
  N  N35  1  0.981  0.099  0.311  1.0
[/CIF]
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