The crystal structure described by Sr3IrN3 crystallizes in the hexagonal P6_3/m space group. Sr(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. Ir(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Sr(1) and one Ir(1) atom to form a mixture of distorted corner and edge-sharing NSr5Ir octahedra. The corner-sharing octahedral tilt angles range from 13-49°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3IrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.703
_cell_length_b   7.703
_cell_length_c   5.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   272.558
_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  0.903  0.637  0.250  1.0
  Sr  Sr1  1  0.734  0.097  0.250  1.0
  Sr  Sr2  1  0.363  0.266  0.250  1.0
  Sr  Sr3  1  0.097  0.363  0.750  1.0
  Sr  Sr4  1  0.266  0.903  0.750  1.0
  Sr  Sr5  1  0.637  0.734  0.750  1.0
  Ir  Ir6  1  0.667  0.333  0.750  1.0
  Ir  Ir7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.895  0.595  0.750  1.0
  N  N9  1  0.700  0.105  0.750  1.0
  N  N10  1  0.405  0.300  0.750  1.0
  N  N11  1  0.105  0.405  0.250  1.0
  N  N12  1  0.300  0.895  0.250  1.0
  N  N13  1  0.595  0.700  0.250  1.0
[/CIF]
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The crystal structure described by Sr3IrN3 crystallizes in the hexagonal P6_3/m space group. Sr(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. Ir(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Sr(1) and one Ir(1) atom to form a mixture of distorted corner and edge-sharing NSr5Ir octahedra. The corner-sharing octahedral tilt angles range from 13-49°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3IrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.703
_cell_length_b   7.703
_cell_length_c   5.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   272.558
_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  0.903  0.637  0.250  1.0
  Sr  Sr1  1  0.734  0.097  0.250  1.0
  Sr  Sr2  1  0.363  0.266  0.250  1.0
  Sr  Sr3  1  0.097  0.363  0.750  1.0
  Sr  Sr4  1  0.266  0.903  0.750  1.0
  Sr  Sr5  1  0.637  0.734  0.750  1.0
  Ir  Ir6  1  0.667  0.333  0.750  1.0
  Ir  Ir7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.895  0.595  0.750  1.0
  N  N9  1  0.700  0.105  0.750  1.0
  N  N10  1  0.405  0.300  0.750  1.0
  N  N11  1  0.105  0.405  0.250  1.0
  N  N12  1  0.300  0.895  0.250  1.0
  N  N13  1  0.595  0.700  0.250  1.0
[/CIF]
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