The compound described by Mg2IrN3 crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one N(2) and four equivalent N(1) atoms to form MgN5 trigonal bipyramids that share corners with three equivalent Ir(1)N5 trigonal bipyramids, corners with five equivalent Mg(1)N5 trigonal bipyramids, edges with two equivalent Ir(1)N5 trigonal bipyramids, and edges with four equivalent Mg(1)N5 trigonal bipyramids. Ir(1) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form distorted IrN5 trigonal bipyramids that share corners with two equivalent Ir(1)N5 trigonal bipyramids, corners with six equivalent Mg(1)N5 trigonal bipyramids, edges with two equivalent Ir(1)N5 trigonal bipyramids, and edges with four equivalent Mg(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to four equivalent Mg(1) and one Ir(1) atom to form NMg4Ir trigonal bipyramids that share corners with three equivalent N(2)Mg2Ir3 trigonal bipyramids, corners with five equivalent N(1)Mg4Ir trigonal bipyramids, edges with two equivalent N(2)Mg2Ir3 trigonal bipyramids, and edges with four equivalent N(1)Mg4Ir trigonal bipyramids. In the second N site, N(2) is bonded to two equivalent Mg(1) and three equivalent Ir(1) atoms to form distorted NMg2Ir3 trigonal bipyramids that share corners with two equivalent N(2)Mg2Ir3 trigonal bipyramids, corners with six equivalent N(1)Mg4Ir trigonal bipyramids, edges with two equivalent N(2)Mg2Ir3 trigonal bipyramids, and edges with four equivalent N(1)Mg4Ir trigonal bipyramids. is represented by the CIF card [CIF]
data_Mg2IrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.264
_cell_length_b   6.308
_cell_length_c   4.379
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.236
_symmetry_Int_Tables_number   1
_cell_volume   149.488
_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
  Mg  Mg0  1  0.338  0.334  0.433  1.0
  Mg  Mg1  1  0.662  0.996  0.433  1.0
  Mg  Mg2  1  0.662  0.666  0.933  1.0
  Mg  Mg3  1  0.338  0.004  0.933  1.0
  Ir  Ir4  1  0.000  0.677  0.441  1.0
  Ir  Ir5  1  0.000  0.323  0.941  1.0
  N  N6  1  0.313  0.331  0.931  1.0
  N  N7  1  0.687  0.018  0.931  1.0
  N  N8  1  0.687  0.669  0.431  1.0
  N  N9  1  0.313  0.982  0.431  1.0
  N  N10  1  0.000  0.627  0.902  1.0
  N  N11  1  0.000  0.373  0.402  1.0
[/CIF]
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The compound described by Mg2IrN3 crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one N(2) and four equivalent N(1) atoms to form MgN5 trigonal bipyramids that share corners with three equivalent Ir(1)N5 trigonal bipyramids, corners with five equivalent Mg(1)N5 trigonal bipyramids, edges with two equivalent Ir(1)N5 trigonal bipyramids, and edges with four equivalent Mg(1)N5 trigonal bipyramids. Ir(1) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form distorted IrN5 trigonal bipyramids that share corners with two equivalent Ir(1)N5 trigonal bipyramids, corners with six equivalent Mg(1)N5 trigonal bipyramids, edges with two equivalent Ir(1)N5 trigonal bipyramids, and edges with four equivalent Mg(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to four equivalent Mg(1) and one Ir(1) atom to form NMg4Ir trigonal bipyramids that share corners with three equivalent N(2)Mg2Ir3 trigonal bipyramids, corners with five equivalent N(1)Mg4Ir trigonal bipyramids, edges with two equivalent N(2)Mg2Ir3 trigonal bipyramids, and edges with four equivalent N(1)Mg4Ir trigonal bipyramids. In the second N site, N(2) is bonded to two equivalent Mg(1) and three equivalent Ir(1) atoms to form distorted NMg2Ir3 trigonal bipyramids that share corners with two equivalent N(2)Mg2Ir3 trigonal bipyramids, corners with six equivalent N(1)Mg4Ir trigonal bipyramids, edges with two equivalent N(2)Mg2Ir3 trigonal bipyramids, and edges with four equivalent N(1)Mg4Ir trigonal bipyramids. is represented by the CIF card [CIF]
data_Mg2IrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.264
_cell_length_b   6.308
_cell_length_c   4.379
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.236
_symmetry_Int_Tables_number   1
_cell_volume   149.488
_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
  Mg  Mg0  1  0.338  0.334  0.433  1.0
  Mg  Mg1  1  0.662  0.996  0.433  1.0
  Mg  Mg2  1  0.662  0.666  0.933  1.0
  Mg  Mg3  1  0.338  0.004  0.933  1.0
  Ir  Ir4  1  0.000  0.677  0.441  1.0
  Ir  Ir5  1  0.000  0.323  0.941  1.0
  N  N6  1  0.313  0.331  0.931  1.0
  N  N7  1  0.687  0.018  0.931  1.0
  N  N8  1  0.687  0.669  0.431  1.0
  N  N9  1  0.313  0.982  0.431  1.0
  N  N10  1  0.000  0.627  0.902  1.0
  N  N11  1  0.000  0.373  0.402  1.0
[/CIF]
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