The material structure described by Sr4RuN4 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 3-coordinate geometry to one N(4) and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent N(1), two equivalent N(4), and three equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 3-coordinate geometry to one N(4), two equivalent N(1), and two equivalent N(3) atoms. In the fourth Sr site, Sr(4) is bonded in a 6-coordinate geometry to one N(1), one N(3), two equivalent N(2), and two equivalent N(4) atoms. Ru(1) is bonded in a bent 150 degrees geometry to one N(1) and one N(3) atom. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), two equivalent Sr(4), and one N(2) atom. In the second N site, N(1) is bonded to one Sr(4), two equivalent Sr(2), two equivalent Sr(3), and one Ru(1) atom to form distorted NSr5Ru octahedra that share corners with two equivalent N(2)Sr5N octahedra, edges with two equivalent N(1)Sr5Ru octahedra, and edges with three equivalent N(2)Sr5N octahedra. The corner-sharing octahedral tilt angles are 9°. In the third N site, N(2) is bonded to two equivalent Sr(4), three equivalent Sr(2), and one N(4) atom to form distorted NSr5N octahedra that share corners with two equivalent N(1)Sr5Ru octahedra, edges with three equivalent N(1)Sr5Ru octahedra, and edges with four equivalent N(2)Sr5N octahedra. The corner-sharing octahedral tilt angles are 9°. In the fourth N site, N(3) is bonded in a 6-coordinate geometry to one Sr(4), two equivalent Sr(1), two equivalent Sr(3), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Sr4RuN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.695
_cell_length_b   4.124
_cell_length_c   16.313
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   719.527
_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  0.588  0.250  0.919  1.0
  Sr  Sr1  1  0.088  0.250  0.581  1.0
  Sr  Sr2  1  0.412  0.750  0.081  1.0
  Sr  Sr3  1  0.912  0.750  0.419  1.0
  Sr  Sr4  1  0.646  0.250  0.520  1.0
  Sr  Sr5  1  0.146  0.250  0.980  1.0
  Sr  Sr6  1  0.354  0.750  0.480  1.0
  Sr  Sr7  1  0.854  0.750  0.020  1.0
  Sr  Sr8  1  0.715  0.250  0.734  1.0
  Sr  Sr9  1  0.215  0.250  0.766  1.0
  Sr  Sr10  1  0.285  0.750  0.266  1.0
  Sr  Sr11  1  0.785  0.750  0.234  1.0
  Sr  Sr12  1  0.042  0.250  0.172  1.0
  Sr  Sr13  1  0.542  0.250  0.328  1.0
  Sr  Sr14  1  0.958  0.750  0.828  1.0
  Sr  Sr15  1  0.458  0.750  0.672  1.0
  Ru  Ru16  1  0.629  0.250  0.130  1.0
  Ru  Ru17  1  0.129  0.250  0.370  1.0
  Ru  Ru18  1  0.371  0.750  0.870  1.0
  Ru  Ru19  1  0.871  0.750  0.630  1.0
  N  N20  1  0.302  0.250  0.366  1.0
  N  N21  1  0.802  0.250  0.134  1.0
  N  N22  1  0.698  0.750  0.634  1.0
  N  N23  1  0.198  0.750  0.866  1.0
  N  N24  1  0.941  0.250  0.918  1.0
  N  N25  1  0.441  0.250  0.582  1.0
  N  N26  1  0.059  0.750  0.082  1.0
  N  N27  1  0.559  0.750  0.418  1.0
  N  N28  1  0.972  0.250  0.324  1.0
  N  N29  1  0.472  0.250  0.176  1.0
  N  N30  1  0.028  0.750  0.676  1.0
  N  N31  1  0.528  0.750  0.824  1.0
  N  N32  1  0.819  0.250  0.889  1.0
  N  N33  1  0.319  0.250  0.611  1.0
  N  N34  1  0.181  0.750  0.111  1.0
  N  N35  1  0.681  0.750  0.389  1.0
[/CIF]
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The material structure described by Sr4RuN4 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 3-coordinate geometry to one N(4) and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent N(1), two equivalent N(4), and three equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 3-coordinate geometry to one N(4), two equivalent N(1), and two equivalent N(3) atoms. In the fourth Sr site, Sr(4) is bonded in a 6-coordinate geometry to one N(1), one N(3), two equivalent N(2), and two equivalent N(4) atoms. Ru(1) is bonded in a bent 150 degrees geometry to one N(1) and one N(3) atom. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), two equivalent Sr(4), and one N(2) atom. In the second N site, N(1) is bonded to one Sr(4), two equivalent Sr(2), two equivalent Sr(3), and one Ru(1) atom to form distorted NSr5Ru octahedra that share corners with two equivalent N(2)Sr5N octahedra, edges with two equivalent N(1)Sr5Ru octahedra, and edges with three equivalent N(2)Sr5N octahedra. The corner-sharing octahedral tilt angles are 9°. In the third N site, N(2) is bonded to two equivalent Sr(4), three equivalent Sr(2), and one N(4) atom to form distorted NSr5N octahedra that share corners with two equivalent N(1)Sr5Ru octahedra, edges with three equivalent N(1)Sr5Ru octahedra, and edges with four equivalent N(2)Sr5N octahedra. The corner-sharing octahedral tilt angles are 9°. In the fourth N site, N(3) is bonded in a 6-coordinate geometry to one Sr(4), two equivalent Sr(1), two equivalent Sr(3), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Sr4RuN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.695
_cell_length_b   4.124
_cell_length_c   16.313
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   719.527
_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  0.588  0.250  0.919  1.0
  Sr  Sr1  1  0.088  0.250  0.581  1.0
  Sr  Sr2  1  0.412  0.750  0.081  1.0
  Sr  Sr3  1  0.912  0.750  0.419  1.0
  Sr  Sr4  1  0.646  0.250  0.520  1.0
  Sr  Sr5  1  0.146  0.250  0.980  1.0
  Sr  Sr6  1  0.354  0.750  0.480  1.0
  Sr  Sr7  1  0.854  0.750  0.020  1.0
  Sr  Sr8  1  0.715  0.250  0.734  1.0
  Sr  Sr9  1  0.215  0.250  0.766  1.0
  Sr  Sr10  1  0.285  0.750  0.266  1.0
  Sr  Sr11  1  0.785  0.750  0.234  1.0
  Sr  Sr12  1  0.042  0.250  0.172  1.0
  Sr  Sr13  1  0.542  0.250  0.328  1.0
  Sr  Sr14  1  0.958  0.750  0.828  1.0
  Sr  Sr15  1  0.458  0.750  0.672  1.0
  Ru  Ru16  1  0.629  0.250  0.130  1.0
  Ru  Ru17  1  0.129  0.250  0.370  1.0
  Ru  Ru18  1  0.371  0.750  0.870  1.0
  Ru  Ru19  1  0.871  0.750  0.630  1.0
  N  N20  1  0.302  0.250  0.366  1.0
  N  N21  1  0.802  0.250  0.134  1.0
  N  N22  1  0.698  0.750  0.634  1.0
  N  N23  1  0.198  0.750  0.866  1.0
  N  N24  1  0.941  0.250  0.918  1.0
  N  N25  1  0.441  0.250  0.582  1.0
  N  N26  1  0.059  0.750  0.082  1.0
  N  N27  1  0.559  0.750  0.418  1.0
  N  N28  1  0.972  0.250  0.324  1.0
  N  N29  1  0.472  0.250  0.176  1.0
  N  N30  1  0.028  0.750  0.676  1.0
  N  N31  1  0.528  0.750  0.824  1.0
  N  N32  1  0.819  0.250  0.889  1.0
  N  N33  1  0.319  0.250  0.611  1.0
  N  N34  1  0.181  0.750  0.111  1.0
  N  N35  1  0.681  0.750  0.389  1.0
[/CIF]
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