The material described by K2IrNH3Cl5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. Ir(1) is bonded in an octahedral geometry to one N(1), one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms. N(1) is bonded in a distorted trigonal non-coplanar geometry to one Ir(1), one H(2), and two equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Ir(1) atom. In the second Cl site, Cl(3) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Ir(1) atom. In the third Cl site, Cl(4) is bonded to four equivalent K(1) and one Ir(1) atom to form distorted corner-sharing ClK4Ir square pyramids. In the fourth Cl site, Cl(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2H3IrNCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.041
_cell_length_b   10.152
_cell_length_c   13.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   986.641
_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
  K  K0  1  0.869  0.501  0.347  1.0
  K  K1  1  0.631  0.999  0.847  1.0
  K  K2  1  0.131  0.001  0.653  1.0
  K  K3  1  0.369  0.499  0.153  1.0
  K  K4  1  0.131  0.499  0.653  1.0
  K  K5  1  0.369  0.001  0.153  1.0
  K  K6  1  0.869  0.999  0.347  1.0
  K  K7  1  0.631  0.501  0.847  1.0
  H  H8  1  0.081  0.832  0.996  1.0
  H  H9  1  0.419  0.668  0.496  1.0
  H  H10  1  0.919  0.332  0.004  1.0
  H  H11  1  0.581  0.168  0.504  1.0
  H  H12  1  0.919  0.168  0.004  1.0
  H  H13  1  0.581  0.332  0.504  1.0
  H  H14  1  0.081  0.668  0.996  1.0
  H  H15  1  0.419  0.832  0.496  1.0
  H  H16  1  0.922  0.750  0.932  1.0
  H  H17  1  0.578  0.750  0.432  1.0
  H  H18  1  0.078  0.250  0.068  1.0
  H  H19  1  0.422  0.250  0.568  1.0
  Ir  Ir20  1  0.814  0.750  0.114  1.0
  Ir  Ir21  1  0.686  0.750  0.614  1.0
  Ir  Ir22  1  0.186  0.250  0.886  1.0
  Ir  Ir23  1  0.314  0.250  0.386  1.0
  N  N24  1  0.995  0.750  0.997  1.0
  N  N25  1  0.505  0.750  0.497  1.0
  N  N26  1  0.005  0.250  0.003  1.0
  N  N27  1  0.495  0.250  0.503  1.0
  Cl  Cl28  1  0.085  0.750  0.215  1.0
  Cl  Cl29  1  0.415  0.750  0.715  1.0
  Cl  Cl30  1  0.915  0.250  0.785  1.0
  Cl  Cl31  1  0.585  0.250  0.285  1.0
  Cl  Cl32  1  0.817  0.517  0.111  1.0
  Cl  Cl33  1  0.683  0.983  0.611  1.0
  Cl  Cl34  1  0.183  0.017  0.889  1.0
  Cl  Cl35  1  0.317  0.483  0.389  1.0
  Cl  Cl36  1  0.183  0.483  0.889  1.0
  Cl  Cl37  1  0.317  0.017  0.389  1.0
  Cl  Cl38  1  0.817  0.983  0.111  1.0
  Cl  Cl39  1  0.683  0.517  0.611  1.0
  Cl  Cl40  1  0.548  0.750  0.007  1.0
  Cl  Cl41  1  0.952  0.750  0.507  1.0
  Cl  Cl42  1  0.452  0.250  0.993  1.0
  Cl  Cl43  1  0.048  0.250  0.493  1.0
  Cl  Cl44  1  0.607  0.750  0.254  1.0
  Cl  Cl45  1  0.893  0.750  0.754  1.0
  Cl  Cl46  1  0.393  0.250  0.746  1.0
  Cl  Cl47  1  0.107  0.250  0.246  1.0
[/CIF]
.
The material described by K2IrNH3Cl5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. Ir(1) is bonded in an octahedral geometry to one N(1), one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms. N(1) is bonded in a distorted trigonal non-coplanar geometry to one Ir(1), one H(2), and two equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Ir(1) atom. In the second Cl site, Cl(3) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Ir(1) atom. In the third Cl site, Cl(4) is bonded to four equivalent K(1) and one Ir(1) atom to form distorted corner-sharing ClK4Ir square pyramids. In the fourth Cl site, Cl(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2H3IrNCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.041
_cell_length_b   10.152
_cell_length_c   13.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   986.641
_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
  K  K0  1  0.869  0.501  0.347  1.0
  K  K1  1  0.631  0.999  0.847  1.0
  K  K2  1  0.131  0.001  0.653  1.0
  K  K3  1  0.369  0.499  0.153  1.0
  K  K4  1  0.131  0.499  0.653  1.0
  K  K5  1  0.369  0.001  0.153  1.0
  K  K6  1  0.869  0.999  0.347  1.0
  K  K7  1  0.631  0.501  0.847  1.0
  H  H8  1  0.081  0.832  0.996  1.0
  H  H9  1  0.419  0.668  0.496  1.0
  H  H10  1  0.919  0.332  0.004  1.0
  H  H11  1  0.581  0.168  0.504  1.0
  H  H12  1  0.919  0.168  0.004  1.0
  H  H13  1  0.581  0.332  0.504  1.0
  H  H14  1  0.081  0.668  0.996  1.0
  H  H15  1  0.419  0.832  0.496  1.0
  H  H16  1  0.922  0.750  0.932  1.0
  H  H17  1  0.578  0.750  0.432  1.0
  H  H18  1  0.078  0.250  0.068  1.0
  H  H19  1  0.422  0.250  0.568  1.0
  Ir  Ir20  1  0.814  0.750  0.114  1.0
  Ir  Ir21  1  0.686  0.750  0.614  1.0
  Ir  Ir22  1  0.186  0.250  0.886  1.0
  Ir  Ir23  1  0.314  0.250  0.386  1.0
  N  N24  1  0.995  0.750  0.997  1.0
  N  N25  1  0.505  0.750  0.497  1.0
  N  N26  1  0.005  0.250  0.003  1.0
  N  N27  1  0.495  0.250  0.503  1.0
  Cl  Cl28  1  0.085  0.750  0.215  1.0
  Cl  Cl29  1  0.415  0.750  0.715  1.0
  Cl  Cl30  1  0.915  0.250  0.785  1.0
  Cl  Cl31  1  0.585  0.250  0.285  1.0
  Cl  Cl32  1  0.817  0.517  0.111  1.0
  Cl  Cl33  1  0.683  0.983  0.611  1.0
  Cl  Cl34  1  0.183  0.017  0.889  1.0
  Cl  Cl35  1  0.317  0.483  0.389  1.0
  Cl  Cl36  1  0.183  0.483  0.889  1.0
  Cl  Cl37  1  0.317  0.017  0.389  1.0
  Cl  Cl38  1  0.817  0.983  0.111  1.0
  Cl  Cl39  1  0.683  0.517  0.611  1.0
  Cl  Cl40  1  0.548  0.750  0.007  1.0
  Cl  Cl41  1  0.952  0.750  0.507  1.0
  Cl  Cl42  1  0.452  0.250  0.993  1.0
  Cl  Cl43  1  0.048  0.250  0.493  1.0
  Cl  Cl44  1  0.607  0.750  0.254  1.0
  Cl  Cl45  1  0.893  0.750  0.754  1.0
  Cl  Cl46  1  0.393  0.250  0.746  1.0
  Cl  Cl47  1  0.107  0.250  0.246  1.0
[/CIF]
.