The material structure described by Sr3(IrN2)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 4-coordinate geometry to one 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 Ir sites. In the first Ir site, Ir(1) is bonded in a distorted tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ir site, Ir(2) is bonded in a distorted bent 150 degrees geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one Ir(1) atom. In the second N site, N(2) is bonded to one Sr(2), three equivalent Sr(1), one Ir(1), and one Ir(2) atom to form a mixture of distorted edge, corner, and face-sharing NSr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 28-67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3(IrN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.348
_cell_length_b   9.784
_cell_length_c   9.843
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   611.309
_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  0.616  0.162  0.423  1.0
  Sr  Sr1  1  0.884  0.838  0.423  1.0
  Sr  Sr2  1  0.616  0.338  0.077  1.0
  Sr  Sr3  1  0.884  0.662  0.077  1.0
  Sr  Sr4  1  0.384  0.838  0.577  1.0
  Sr  Sr5  1  0.116  0.162  0.577  1.0
  Sr  Sr6  1  0.384  0.662  0.923  1.0
  Sr  Sr7  1  0.116  0.338  0.923  1.0
  Sr  Sr8  1  0.750  0.500  0.395  1.0
  Sr  Sr9  1  0.750  0.000  0.105  1.0
  Sr  Sr10  1  0.250  0.500  0.605  1.0
  Sr  Sr11  1  0.250  0.000  0.895  1.0
  Ir  Ir12  1  0.750  0.500  0.718  1.0
  Ir  Ir13  1  0.750  0.000  0.782  1.0
  Ir  Ir14  1  0.250  0.500  0.282  1.0
  Ir  Ir15  1  0.250  0.000  0.218  1.0
  Ir  Ir16  1  0.574  0.250  0.750  1.0
  Ir  Ir17  1  0.926  0.750  0.750  1.0
  Ir  Ir18  1  0.426  0.750  0.250  1.0
  Ir  Ir19  1  0.074  0.250  0.250  1.0
  N  N20  1  0.902  0.368  0.615  1.0
  N  N21  1  0.598  0.632  0.615  1.0
  N  N22  1  0.902  0.132  0.885  1.0
  N  N23  1  0.598  0.868  0.885  1.0
  N  N24  1  0.098  0.632  0.385  1.0
  N  N25  1  0.402  0.368  0.385  1.0
  N  N26  1  0.098  0.868  0.115  1.0
  N  N27  1  0.402  0.132  0.115  1.0
  N  N28  1  0.499  0.424  0.837  1.0
  N  N29  1  0.001  0.576  0.837  1.0
  N  N30  1  0.499  0.076  0.663  1.0
  N  N31  1  0.001  0.924  0.663  1.0
  N  N32  1  0.501  0.576  0.163  1.0
  N  N33  1  0.999  0.424  0.163  1.0
  N  N34  1  0.501  0.924  0.337  1.0
  N  N35  1  0.999  0.076  0.337  1.0
[/CIF]
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The material structure described by Sr3(IrN2)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 4-coordinate geometry to one 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 Ir sites. In the first Ir site, Ir(1) is bonded in a distorted tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ir site, Ir(2) is bonded in a distorted bent 150 degrees geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one Ir(1) atom. In the second N site, N(2) is bonded to one Sr(2), three equivalent Sr(1), one Ir(1), and one Ir(2) atom to form a mixture of distorted edge, corner, and face-sharing NSr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 28-67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3(IrN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.348
_cell_length_b   9.784
_cell_length_c   9.843
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   611.309
_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  0.616  0.162  0.423  1.0
  Sr  Sr1  1  0.884  0.838  0.423  1.0
  Sr  Sr2  1  0.616  0.338  0.077  1.0
  Sr  Sr3  1  0.884  0.662  0.077  1.0
  Sr  Sr4  1  0.384  0.838  0.577  1.0
  Sr  Sr5  1  0.116  0.162  0.577  1.0
  Sr  Sr6  1  0.384  0.662  0.923  1.0
  Sr  Sr7  1  0.116  0.338  0.923  1.0
  Sr  Sr8  1  0.750  0.500  0.395  1.0
  Sr  Sr9  1  0.750  0.000  0.105  1.0
  Sr  Sr10  1  0.250  0.500  0.605  1.0
  Sr  Sr11  1  0.250  0.000  0.895  1.0
  Ir  Ir12  1  0.750  0.500  0.718  1.0
  Ir  Ir13  1  0.750  0.000  0.782  1.0
  Ir  Ir14  1  0.250  0.500  0.282  1.0
  Ir  Ir15  1  0.250  0.000  0.218  1.0
  Ir  Ir16  1  0.574  0.250  0.750  1.0
  Ir  Ir17  1  0.926  0.750  0.750  1.0
  Ir  Ir18  1  0.426  0.750  0.250  1.0
  Ir  Ir19  1  0.074  0.250  0.250  1.0
  N  N20  1  0.902  0.368  0.615  1.0
  N  N21  1  0.598  0.632  0.615  1.0
  N  N22  1  0.902  0.132  0.885  1.0
  N  N23  1  0.598  0.868  0.885  1.0
  N  N24  1  0.098  0.632  0.385  1.0
  N  N25  1  0.402  0.368  0.385  1.0
  N  N26  1  0.098  0.868  0.115  1.0
  N  N27  1  0.402  0.132  0.115  1.0
  N  N28  1  0.499  0.424  0.837  1.0
  N  N29  1  0.001  0.576  0.837  1.0
  N  N30  1  0.499  0.076  0.663  1.0
  N  N31  1  0.001  0.924  0.663  1.0
  N  N32  1  0.501  0.576  0.163  1.0
  N  N33  1  0.999  0.424  0.163  1.0
  N  N34  1  0.501  0.924  0.337  1.0
  N  N35  1  0.999  0.076  0.337  1.0
[/CIF]
.