The compound described by Sr3Ir3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to one N(1), one N(3), one N(4), and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one N(2), one N(3), one N(4), two equivalent N(1), and two equivalent N(5) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), one N(5), and two equivalent N(3) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to one N(1), one N(5), and two equivalent N(3) atoms. In the second Ir site, Ir(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the third Ir site, Ir(3) is bonded in a distorted trigonal planar geometry to one N(2), one N(4), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Ir(1), and one Ir(2) atom. In the second N site, N(2) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Ir(2), and one Ir(3) atom to form distorted NSr4Ir2 octahedra that share  a cornercorner with one N(3)Sr4Ir2 octahedra, corners with four equivalent N(5)Sr3Ir2 square pyramids,  an edgeedge with one N(2)Sr4Ir2 octahedra, and edges with two equivalent N(3)Sr4Ir2 octahedra. The corner-sharing octahedral tilt angles are 24°. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), and two equivalent Ir(1) atoms to form distorted NSr4Ir2 octahedra that share  a cornercorner with one N(2)Sr4Ir2 octahedra, corners with two equivalent N(5)Sr3Ir2 square pyramids, edges with two equivalent N(2)Sr4Ir2 octahedra, edges with two equivalent N(3)Sr4Ir2 octahedra, and edges with two equivalent N(5)Sr3Ir2 square pyramids. The corner-sharing octahedral tilt angles are 24°. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Ir(2), and one Ir(3) atom. In the fifth N site, N(5) is bonded to one Sr(3), two equivalent Sr(2), one Ir(1), and one Ir(3) atom to form distorted NSr3Ir2 square pyramids that share corners with two equivalent N(3)Sr4Ir2 octahedra, corners with four equivalent N(2)Sr4Ir2 octahedra, edges with two equivalent N(3)Sr4Ir2 octahedra, and  an edgeedge with one N(5)Sr3Ir2 square pyramid. The corner-sharing octahedral tilt angles range from 34-58°. is represented by the CIF card [CIF]
data_Sr3Ir3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.553
_cell_length_b   7.715
_cell_length_c   8.566
_cell_angle_alpha   101.500
_cell_angle_beta   117.279
_cell_angle_gamma   98.173
_symmetry_Int_Tables_number   1
_cell_volume   363.341
_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  0.729  0.407  0.601  1.0
  Sr  Sr1  1  0.271  0.593  0.399  1.0
  Sr  Sr2  1  0.673  0.879  0.877  1.0
  Sr  Sr3  1  0.327  0.121  0.123  1.0
  Sr  Sr4  1  0.690  0.693  0.218  1.0
  Sr  Sr5  1  0.310  0.307  0.782  1.0
  Ir  Ir6  1  0.888  0.341  0.991  1.0
  Ir  Ir7  1  0.112  0.659  0.009  1.0
  Ir  Ir8  1  0.767  0.997  0.579  1.0
  Ir  Ir9  1  0.233  0.003  0.421  1.0
  Ir  Ir10  1  0.089  0.796  0.718  1.0
  Ir  Ir11  1  0.911  0.204  0.282  1.0
  N  N12  1  0.950  0.148  0.833  1.0
  N  N13  1  0.050  0.852  0.167  1.0
  N  N14  1  0.723  0.733  0.559  1.0
  N  N15  1  0.277  0.267  0.441  1.0
  N  N16  1  0.733  0.533  0.910  1.0
  N  N17  1  0.267  0.467  0.090  1.0
  N  N18  1  0.243  0.896  0.600  1.0
  N  N19  1  0.757  0.104  0.400  1.0
  N  N20  1  0.340  0.776  0.947  1.0
  N  N21  1  0.660  0.224  0.053  1.0
[/CIF]
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The compound described by Sr3Ir3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to one N(1), one N(3), one N(4), and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one N(2), one N(3), one N(4), two equivalent N(1), and two equivalent N(5) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), one N(5), and two equivalent N(3) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to one N(1), one N(5), and two equivalent N(3) atoms. In the second Ir site, Ir(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the third Ir site, Ir(3) is bonded in a distorted trigonal planar geometry to one N(2), one N(4), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Ir(1), and one Ir(2) atom. In the second N site, N(2) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Ir(2), and one Ir(3) atom to form distorted NSr4Ir2 octahedra that share  a cornercorner with one N(3)Sr4Ir2 octahedra, corners with four equivalent N(5)Sr3Ir2 square pyramids,  an edgeedge with one N(2)Sr4Ir2 octahedra, and edges with two equivalent N(3)Sr4Ir2 octahedra. The corner-sharing octahedral tilt angles are 24°. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), and two equivalent Ir(1) atoms to form distorted NSr4Ir2 octahedra that share  a cornercorner with one N(2)Sr4Ir2 octahedra, corners with two equivalent N(5)Sr3Ir2 square pyramids, edges with two equivalent N(2)Sr4Ir2 octahedra, edges with two equivalent N(3)Sr4Ir2 octahedra, and edges with two equivalent N(5)Sr3Ir2 square pyramids. The corner-sharing octahedral tilt angles are 24°. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Ir(2), and one Ir(3) atom. In the fifth N site, N(5) is bonded to one Sr(3), two equivalent Sr(2), one Ir(1), and one Ir(3) atom to form distorted NSr3Ir2 square pyramids that share corners with two equivalent N(3)Sr4Ir2 octahedra, corners with four equivalent N(2)Sr4Ir2 octahedra, edges with two equivalent N(3)Sr4Ir2 octahedra, and  an edgeedge with one N(5)Sr3Ir2 square pyramid. The corner-sharing octahedral tilt angles range from 34-58°. is represented by the CIF card [CIF]
data_Sr3Ir3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.553
_cell_length_b   7.715
_cell_length_c   8.566
_cell_angle_alpha   101.500
_cell_angle_beta   117.279
_cell_angle_gamma   98.173
_symmetry_Int_Tables_number   1
_cell_volume   363.341
_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  0.729  0.407  0.601  1.0
  Sr  Sr1  1  0.271  0.593  0.399  1.0
  Sr  Sr2  1  0.673  0.879  0.877  1.0
  Sr  Sr3  1  0.327  0.121  0.123  1.0
  Sr  Sr4  1  0.690  0.693  0.218  1.0
  Sr  Sr5  1  0.310  0.307  0.782  1.0
  Ir  Ir6  1  0.888  0.341  0.991  1.0
  Ir  Ir7  1  0.112  0.659  0.009  1.0
  Ir  Ir8  1  0.767  0.997  0.579  1.0
  Ir  Ir9  1  0.233  0.003  0.421  1.0
  Ir  Ir10  1  0.089  0.796  0.718  1.0
  Ir  Ir11  1  0.911  0.204  0.282  1.0
  N  N12  1  0.950  0.148  0.833  1.0
  N  N13  1  0.050  0.852  0.167  1.0
  N  N14  1  0.723  0.733  0.559  1.0
  N  N15  1  0.277  0.267  0.441  1.0
  N  N16  1  0.733  0.533  0.910  1.0
  N  N17  1  0.267  0.467  0.090  1.0
  N  N18  1  0.243  0.896  0.600  1.0
  N  N19  1  0.757  0.104  0.400  1.0
  N  N20  1  0.340  0.776  0.947  1.0
  N  N21  1  0.660  0.224  0.053  1.0
[/CIF]
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