The crystal structure described by Sr3(IrN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted edge-sharing SrN6 octahedra. Ir(1) is bonded in a 3-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 7-coordinate geometry to one Sr(2), four equivalent Sr(1), and two equivalent Ir(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_Sr3(IrN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.373
_cell_length_b   9.363
_cell_length_c   5.576
_cell_angle_alpha   90.000
_cell_angle_beta   91.973
_cell_angle_gamma   129.416
_symmetry_Int_Tables_number   1
_cell_volume   297.113
_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  0.240  0.966  0.055  1.0
  Sr  Sr1  1  0.760  0.726  0.445  1.0
  Sr  Sr2  1  0.760  0.034  0.945  1.0
  Sr  Sr3  1  0.240  0.274  0.555  1.0
  Sr  Sr4  1  0.000  0.593  0.750  1.0
  Sr  Sr5  1  0.000  0.407  0.250  1.0
  Ir  Ir6  1  0.532  0.150  0.584  1.0
  Ir  Ir7  1  0.468  0.618  0.916  1.0
  Ir  Ir8  1  0.468  0.850  0.416  1.0
  Ir  Ir9  1  0.532  0.382  0.084  1.0
  N  N10  1  0.215  0.930  0.539  1.0
  N  N11  1  0.785  0.714  0.961  1.0
  N  N12  1  0.785  0.070  0.461  1.0
  N  N13  1  0.215  0.286  0.039  1.0
  N  N14  1  0.665  0.269  0.924  1.0
  N  N15  1  0.335  0.604  0.576  1.0
  N  N16  1  0.335  0.731  0.076  1.0
  N  N17  1  0.665  0.396  0.424  1.0
[/CIF]
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The crystal structure described by Sr3(IrN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted edge-sharing SrN6 octahedra. Ir(1) is bonded in a 3-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 7-coordinate geometry to one Sr(2), four equivalent Sr(1), and two equivalent Ir(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_Sr3(IrN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.373
_cell_length_b   9.363
_cell_length_c   5.576
_cell_angle_alpha   90.000
_cell_angle_beta   91.973
_cell_angle_gamma   129.416
_symmetry_Int_Tables_number   1
_cell_volume   297.113
_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  0.240  0.966  0.055  1.0
  Sr  Sr1  1  0.760  0.726  0.445  1.0
  Sr  Sr2  1  0.760  0.034  0.945  1.0
  Sr  Sr3  1  0.240  0.274  0.555  1.0
  Sr  Sr4  1  0.000  0.593  0.750  1.0
  Sr  Sr5  1  0.000  0.407  0.250  1.0
  Ir  Ir6  1  0.532  0.150  0.584  1.0
  Ir  Ir7  1  0.468  0.618  0.916  1.0
  Ir  Ir8  1  0.468  0.850  0.416  1.0
  Ir  Ir9  1  0.532  0.382  0.084  1.0
  N  N10  1  0.215  0.930  0.539  1.0
  N  N11  1  0.785  0.714  0.961  1.0
  N  N12  1  0.785  0.070  0.461  1.0
  N  N13  1  0.215  0.286  0.039  1.0
  N  N14  1  0.665  0.269  0.924  1.0
  N  N15  1  0.335  0.604  0.576  1.0
  N  N16  1  0.335  0.731  0.076  1.0
  N  N17  1  0.665  0.396  0.424  1.0
[/CIF]
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