The material described by CsIrN2 crystallizes in the triclinic P1 space group. There are ten inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one N(1), one N(12), one N(16), and one N(6) atom. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one N(11), one N(15), one N(2), and one N(5) atom. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to one N(13), one N(3), one N(8), and one N(9) atom. In the fourth Cs site, Cs(4) is bonded in a 4-coordinate geometry to one N(10), one N(14), one N(4), and one N(7) atom. In the fifth Cs site, Cs(5) is bonded in a 6-coordinate geometry to one N(12), one N(18), one N(2), one N(20), one N(4), and one N(5) atom. In the sixth Cs site, Cs(6) is bonded in a 6-coordinate geometry to one N(1), one N(11), one N(17), one N(19), one N(3), and one N(6) atom. In the seventh Cs site, Cs(7) is bonded in a 6-coordinate geometry to one N(1), one N(17), one N(20), one N(4), one N(7), and one N(9) atom. In the eighth Cs site, Cs(8) is bonded in a 6-coordinate geometry to one N(10), one N(18), one N(19), one N(2), one N(3), and one N(8) atom. In the ninth Cs site, Cs(9) is bonded in a 8-coordinate geometry to one N(10), one N(15), one N(16), one N(17), one N(18), one N(19), one N(20), and one N(9) atom. In the tenth Cs site, Cs(10) is bonded in a 8-coordinate geometry to one N(11), one N(12), one N(13), one N(14), one N(17), one N(18), one N(19), and one N(20) atom. There are ten inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one N(1), one N(2), one N(7), and one N(8) atom to form corner-sharing IrN4 tetrahedra. In the second Ir site, Ir(2) is bonded to one N(3), one N(4), one N(5), and one N(6) atom to form corner-sharing IrN4 tetrahedra. In the third Ir site, Ir(3) is bonded to one N(1), one N(11), one N(20), and one N(9) atom to form corner-sharing IrN4 tetrahedra. In the fourth Ir site, Ir(4) is bonded to one N(10), one N(12), one N(19), and one N(2) atom to form corner-sharing IrN4 tetrahedra. In the fifth Ir site, Ir(5) is bonded to one N(10), one N(11), one N(17), and one N(3) atom to form corner-sharing IrN4 tetrahedra. In the sixth Ir site, Ir(6) is bonded to one N(12), one N(18), one N(4), and one N(9) atom to form corner-sharing IrN4 tetrahedra. In the seventh Ir site, Ir(7) is bonded to one N(13), one N(16), one N(17), and one N(8) atom to form distorted corner-sharing IrN4 trigonal pyramids. In the eighth Ir site, Ir(8) is bonded to one N(14), one N(15), one N(18), and one N(7) atom to form distorted corner-sharing IrN4 trigonal pyramids. In the ninth Ir site, Ir(9) is bonded to one N(13), one N(15), one N(19), and one N(5) atom to form distorted corner-sharing IrN4 trigonal pyramids. In the tenth Ir site, Ir(10) is bonded to one N(14), one N(16), one N(20), and one N(6) atom to form distorted corner-sharing IrN4 trigonal pyramids. There are twenty inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(6), one Cs(7), one Ir(1), and one Ir(3) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to one Cs(2), one Cs(5), one Cs(8), one Ir(1), and one Ir(4) atom. In the third N site, N(3) is bonded in a 2-coordinate geometry to one Cs(3), one Cs(6), one Cs(8), one Ir(2), and one Ir(5) atom. In the fourth N site, N(4) is bonded in a 2-coordinate geometry to one Cs(4), one Cs(5), one Cs(7), one Ir(2), and one Ir(6) atom. In the fifth N site, N(5) is bonded in a 2-coordinate geometry to one Cs(2), one Cs(5), one Ir(2), and one Ir(9) atom. In the sixth N site, N(6) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(6), one Ir(10), and one Ir(2) atom. In the seventh N site, N(7) is bonded in a 4-coordinate geometry to one Cs(4), one Cs(7), one Ir(1), and one Ir(8) atom. In the eighth N site, N(8) is bonded in a 2-coordinate geometry to one Cs(3), one Cs(8), one Ir(1), and one Ir(7) atom. In the ninth N site, N(9) is bonded in a distorted linear geometry to one Cs(3), one Cs(7), one Cs(9), one Ir(3), and one Ir(6) atom. In the tenth N site, N(10) is bonded in a 2-coordinate geometry to one Cs(4), one Cs(8), one Cs(9), one Ir(4), and one Ir(5) atom. In the eleventh N site, N(11) is bonded in a 2-coordinate geometry to one Cs(10), one Cs(2), one Cs(6), one Ir(3), and one Ir(5) atom. In the twelfth N site, N(12) is bonded in a distorted linear geometry to one Cs(1), one Cs(10), one Cs(5), one Ir(4), and one Ir(6) atom. In the thirteenth N site, N(13) is bonded in a distorted bent 150 degrees geometry to one Cs(10), one Cs(3), one Ir(7), and one Ir(9) atom. In the fourteenth N site, N(14) is bonded in a distorted bent 150 degrees geometry to one Cs(10), one Cs(4), one Ir(10), and one Ir(8) atom. In the fifteenth N site, N(15) is bonded in a distorted bent 150 degrees geometry to one Cs(2), one Cs(9), one Ir(8), and one Ir(9) atom. In the sixteenth N site, N(16) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(9), one Ir(10), and one Ir(7) atom. In the seventeenth N site, N(17) is bonded in a 2-coordinate geometry to one Cs(10), one Cs(6), one Cs(7), one Cs(9), one Ir(5), and one Ir(7) atom. In the eighteenth N site, N(18) is bonded in a 2-coordinate geometry to one Cs(10), one Cs(5), one Cs(8), one Cs(9), one Ir(6), and one Ir(8) atom. In the nineteenth N site, N(19) is bonded in a 2-coordinate geometry to one Cs(10), one Cs(6), one Cs(8), one Cs(9), one Ir(4), and one Ir(9) atom. In the twentieth N site, N(20) is bonded in a 2-coordinate geometry to one Cs(10), one Cs(5), one Cs(7), one Cs(9), one Ir(10), and one Ir(3) atom. is represented by the CIF file [CIF]
data_CsIrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.298
_cell_length_b   12.937
_cell_length_c   9.453
_cell_angle_alpha   90.039
_cell_angle_beta   62.659
_cell_angle_gamma   128.925
_symmetry_Int_Tables_number   1
_cell_volume   791.197
_cell_formula_units_Z   10
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
  Cs  Cs0  1  0.601  0.699  0.964  1.0
  Cs  Cs1  1  0.399  0.301  0.566  1.0
  Cs  Cs2  1  0.797  0.598  0.116  1.0
  Cs  Cs3  1  0.203  0.402  0.913  1.0
  Cs  Cs4  1  0.588  0.202  0.731  1.0
  Cs  Cs5  1  0.412  0.798  0.319  1.0
  Cs  Cs6  1  0.816  0.114  0.367  1.0
  Cs  Cs7  1  0.184  0.886  0.183  1.0
  Cs  Cs8  1  0.000  0.000  0.514  1.0
  Cs  Cs9  1  1.000  0.500  0.764  1.0
  Ir  Ir10  1  0.000  0.500  0.264  1.0
  Ir  Ir11  1  1.000  1.000  0.015  1.0
  Ir  Ir12  1  0.195  0.398  0.425  1.0
  Ir  Ir13  1  0.805  0.602  0.620  1.0
  Ir  Ir14  1  0.601  0.703  0.472  1.0
  Ir  Ir15  1  0.400  0.297  0.073  1.0
  Ir  Ir16  1  0.396  0.801  0.815  1.0
  Ir  Ir17  1  0.604  0.199  0.211  1.0
  Ir  Ir18  1  0.206  0.905  0.660  1.0
  Ir  Ir19  1  0.793  0.094  0.866  1.0
  N  N20  1  0.147  0.481  0.311  1.0
  N  N21  1  0.852  0.518  0.458  1.0
  N  N22  1  0.816  0.834  0.227  1.0
  N  N23  1  0.184  0.166  0.042  1.0
  N  N24  1  0.159  0.993  0.813  1.0
  N  N25  1  0.842  0.008  0.972  1.0
  N  N26  1  0.826  0.334  0.230  1.0
  N  N27  1  0.174  0.666  0.056  1.0
  N  N28  1  0.310  0.343  0.265  1.0
  N  N29  1  0.689  0.657  0.575  1.0
  N  N30  1  0.375  0.533  0.482  1.0
  N  N31  1  0.624  0.467  0.857  1.0
  N  N32  1  0.236  0.805  0.765  1.0
  N  N33  1  0.765  0.195  0.000  1.0
  N  N34  1  0.375  0.070  0.445  1.0
  N  N35  1  0.625  0.930  0.820  1.0
  N  N36  1  0.531  0.795  0.592  1.0
  N  N37  1  0.470  0.204  0.123  1.0
  N  N38  1  0.060  0.765  0.579  1.0
  N  N39  1  0.940  0.236  0.638  1.0
[/CIF]
.
The material described by CsIrN2 crystallizes in the triclinic P1 space group. There are ten inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one N(1), one N(12), one N(16), and one N(6) atom. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one N(11), one N(15), one N(2), and one N(5) atom. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to one N(13), one N(3), one N(8), and one N(9) atom. In the fourth Cs site, Cs(4) is bonded in a 4-coordinate geometry to one N(10), one N(14), one N(4), and one N(7) atom. In the fifth Cs site, Cs(5) is bonded in a 6-coordinate geometry to one N(12), one N(18), one N(2), one N(20), one N(4), and one N(5) atom. In the sixth Cs site, Cs(6) is bonded in a 6-coordinate geometry to one N(1), one N(11), one N(17), one N(19), one N(3), and one N(6) atom. In the seventh Cs site, Cs(7) is bonded in a 6-coordinate geometry to one N(1), one N(17), one N(20), one N(4), one N(7), and one N(9) atom. In the eighth Cs site, Cs(8) is bonded in a 6-coordinate geometry to one N(10), one N(18), one N(19), one N(2), one N(3), and one N(8) atom. In the ninth Cs site, Cs(9) is bonded in a 8-coordinate geometry to one N(10), one N(15), one N(16), one N(17), one N(18), one N(19), one N(20), and one N(9) atom. In the tenth Cs site, Cs(10) is bonded in a 8-coordinate geometry to one N(11), one N(12), one N(13), one N(14), one N(17), one N(18), one N(19), and one N(20) atom. There are ten inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one N(1), one N(2), one N(7), and one N(8) atom to form corner-sharing IrN4 tetrahedra. In the second Ir site, Ir(2) is bonded to one N(3), one N(4), one N(5), and one N(6) atom to form corner-sharing IrN4 tetrahedra. In the third Ir site, Ir(3) is bonded to one N(1), one N(11), one N(20), and one N(9) atom to form corner-sharing IrN4 tetrahedra. In the fourth Ir site, Ir(4) is bonded to one N(10), one N(12), one N(19), and one N(2) atom to form corner-sharing IrN4 tetrahedra. In the fifth Ir site, Ir(5) is bonded to one N(10), one N(11), one N(17), and one N(3) atom to form corner-sharing IrN4 tetrahedra. In the sixth Ir site, Ir(6) is bonded to one N(12), one N(18), one N(4), and one N(9) atom to form corner-sharing IrN4 tetrahedra. In the seventh Ir site, Ir(7) is bonded to one N(13), one N(16), one N(17), and one N(8) atom to form distorted corner-sharing IrN4 trigonal pyramids. In the eighth Ir site, Ir(8) is bonded to one N(14), one N(15), one N(18), and one N(7) atom to form distorted corner-sharing IrN4 trigonal pyramids. In the ninth Ir site, Ir(9) is bonded to one N(13), one N(15), one N(19), and one N(5) atom to form distorted corner-sharing IrN4 trigonal pyramids. In the tenth Ir site, Ir(10) is bonded to one N(14), one N(16), one N(20), and one N(6) atom to form distorted corner-sharing IrN4 trigonal pyramids. There are twenty inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(6), one Cs(7), one Ir(1), and one Ir(3) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to one Cs(2), one Cs(5), one Cs(8), one Ir(1), and one Ir(4) atom. In the third N site, N(3) is bonded in a 2-coordinate geometry to one Cs(3), one Cs(6), one Cs(8), one Ir(2), and one Ir(5) atom. In the fourth N site, N(4) is bonded in a 2-coordinate geometry to one Cs(4), one Cs(5), one Cs(7), one Ir(2), and one Ir(6) atom. In the fifth N site, N(5) is bonded in a 2-coordinate geometry to one Cs(2), one Cs(5), one Ir(2), and one Ir(9) atom. In the sixth N site, N(6) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(6), one Ir(10), and one Ir(2) atom. In the seventh N site, N(7) is bonded in a 4-coordinate geometry to one Cs(4), one Cs(7), one Ir(1), and one Ir(8) atom. In the eighth N site, N(8) is bonded in a 2-coordinate geometry to one Cs(3), one Cs(8), one Ir(1), and one Ir(7) atom. In the ninth N site, N(9) is bonded in a distorted linear geometry to one Cs(3), one Cs(7), one Cs(9), one Ir(3), and one Ir(6) atom. In the tenth N site, N(10) is bonded in a 2-coordinate geometry to one Cs(4), one Cs(8), one Cs(9), one Ir(4), and one Ir(5) atom. In the eleventh N site, N(11) is bonded in a 2-coordinate geometry to one Cs(10), one Cs(2), one Cs(6), one Ir(3), and one Ir(5) atom. In the twelfth N site, N(12) is bonded in a distorted linear geometry to one Cs(1), one Cs(10), one Cs(5), one Ir(4), and one Ir(6) atom. In the thirteenth N site, N(13) is bonded in a distorted bent 150 degrees geometry to one Cs(10), one Cs(3), one Ir(7), and one Ir(9) atom. In the fourteenth N site, N(14) is bonded in a distorted bent 150 degrees geometry to one Cs(10), one Cs(4), one Ir(10), and one Ir(8) atom. In the fifteenth N site, N(15) is bonded in a distorted bent 150 degrees geometry to one Cs(2), one Cs(9), one Ir(8), and one Ir(9) atom. In the sixteenth N site, N(16) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(9), one Ir(10), and one Ir(7) atom. In the seventeenth N site, N(17) is bonded in a 2-coordinate geometry to one Cs(10), one Cs(6), one Cs(7), one Cs(9), one Ir(5), and one Ir(7) atom. In the eighteenth N site, N(18) is bonded in a 2-coordinate geometry to one Cs(10), one Cs(5), one Cs(8), one Cs(9), one Ir(6), and one Ir(8) atom. In the nineteenth N site, N(19) is bonded in a 2-coordinate geometry to one Cs(10), one Cs(6), one Cs(8), one Cs(9), one Ir(4), and one Ir(9) atom. In the twentieth N site, N(20) is bonded in a 2-coordinate geometry to one Cs(10), one Cs(5), one Cs(7), one Cs(9), one Ir(10), and one Ir(3) atom. is represented by the CIF file [CIF]
data_CsIrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.298
_cell_length_b   12.937
_cell_length_c   9.453
_cell_angle_alpha   90.039
_cell_angle_beta   62.659
_cell_angle_gamma   128.925
_symmetry_Int_Tables_number   1
_cell_volume   791.197
_cell_formula_units_Z   10
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
  Cs  Cs0  1  0.601  0.699  0.964  1.0
  Cs  Cs1  1  0.399  0.301  0.566  1.0
  Cs  Cs2  1  0.797  0.598  0.116  1.0
  Cs  Cs3  1  0.203  0.402  0.913  1.0
  Cs  Cs4  1  0.588  0.202  0.731  1.0
  Cs  Cs5  1  0.412  0.798  0.319  1.0
  Cs  Cs6  1  0.816  0.114  0.367  1.0
  Cs  Cs7  1  0.184  0.886  0.183  1.0
  Cs  Cs8  1  0.000  0.000  0.514  1.0
  Cs  Cs9  1  1.000  0.500  0.764  1.0
  Ir  Ir10  1  0.000  0.500  0.264  1.0
  Ir  Ir11  1  1.000  1.000  0.015  1.0
  Ir  Ir12  1  0.195  0.398  0.425  1.0
  Ir  Ir13  1  0.805  0.602  0.620  1.0
  Ir  Ir14  1  0.601  0.703  0.472  1.0
  Ir  Ir15  1  0.400  0.297  0.073  1.0
  Ir  Ir16  1  0.396  0.801  0.815  1.0
  Ir  Ir17  1  0.604  0.199  0.211  1.0
  Ir  Ir18  1  0.206  0.905  0.660  1.0
  Ir  Ir19  1  0.793  0.094  0.866  1.0
  N  N20  1  0.147  0.481  0.311  1.0
  N  N21  1  0.852  0.518  0.458  1.0
  N  N22  1  0.816  0.834  0.227  1.0
  N  N23  1  0.184  0.166  0.042  1.0
  N  N24  1  0.159  0.993  0.813  1.0
  N  N25  1  0.842  0.008  0.972  1.0
  N  N26  1  0.826  0.334  0.230  1.0
  N  N27  1  0.174  0.666  0.056  1.0
  N  N28  1  0.310  0.343  0.265  1.0
  N  N29  1  0.689  0.657  0.575  1.0
  N  N30  1  0.375  0.533  0.482  1.0
  N  N31  1  0.624  0.467  0.857  1.0
  N  N32  1  0.236  0.805  0.765  1.0
  N  N33  1  0.765  0.195  0.000  1.0
  N  N34  1  0.375  0.070  0.445  1.0
  N  N35  1  0.625  0.930  0.820  1.0
  N  N36  1  0.531  0.795  0.592  1.0
  N  N37  1  0.470  0.204  0.123  1.0
  N  N38  1  0.060  0.765  0.579  1.0
  N  N39  1  0.940  0.236  0.638  1.0
[/CIF]
.