The compound described by K2AgI3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one I(2), three equivalent I(1), and three equivalent I(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one I(1), two equivalent I(3), and four equivalent I(2) atoms. Ag(1) is bonded to one I(2), one I(3), and two equivalent I(1) atoms to form corner-sharing AgI4 tetrahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 6-coordinate geometry to one K(2), three equivalent K(1), and two equivalent Ag(1) atoms. In the second I site, I(2) is bonded to one K(1), four equivalent K(2), and one Ag(1) atom to form a mixture of edge, face, and corner-sharing IK5Ag octahedra. The corner-sharing octahedral tilt angles range from 24-56°. In the third I site, I(3) is bonded to two equivalent K(2), three equivalent K(1), and one Ag(1) atom to form a mixture of distorted edge, face, and corner-sharing IK5Ag octahedra. The corner-sharing octahedral tilt angles range from 51-56°. is represented by the CIF card [CIF]
data_K2AgI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.817
_cell_length_b   10.073
_cell_length_c   19.637
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   952.792
_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  0.750  0.251  0.039  1.0
  K  K1  1  0.250  0.749  0.961  1.0
  K  K2  1  0.750  0.751  0.461  1.0
  K  K3  1  0.250  0.249  0.539  1.0
  K  K4  1  0.750  0.922  0.713  1.0
  K  K5  1  0.250  0.578  0.213  1.0
  K  K6  1  0.750  0.422  0.787  1.0
  K  K7  1  0.250  0.078  0.287  1.0
  Ag  Ag8  1  0.250  0.127  0.864  1.0
  Ag  Ag9  1  0.250  0.627  0.636  1.0
  Ag  Ag10  1  0.750  0.873  0.136  1.0
  Ag  Ag11  1  0.750  0.373  0.364  1.0
  I  I12  1  0.750  0.489  0.598  1.0
  I  I13  1  0.250  0.011  0.098  1.0
  I  I14  1  0.250  0.689  0.778  1.0
  I  I15  1  0.750  0.811  0.278  1.0
  I  I16  1  0.250  0.880  0.572  1.0
  I  I17  1  0.750  0.120  0.428  1.0
  I  I18  1  0.250  0.511  0.402  1.0
  I  I19  1  0.750  0.620  0.072  1.0
  I  I20  1  0.250  0.380  0.928  1.0
  I  I21  1  0.750  0.311  0.222  1.0
  I  I22  1  0.250  0.189  0.722  1.0
  I  I23  1  0.750  0.989  0.902  1.0
[/CIF]
.
The compound described by K2AgI3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one I(2), three equivalent I(1), and three equivalent I(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one I(1), two equivalent I(3), and four equivalent I(2) atoms. Ag(1) is bonded to one I(2), one I(3), and two equivalent I(1) atoms to form corner-sharing AgI4 tetrahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 6-coordinate geometry to one K(2), three equivalent K(1), and two equivalent Ag(1) atoms. In the second I site, I(2) is bonded to one K(1), four equivalent K(2), and one Ag(1) atom to form a mixture of edge, face, and corner-sharing IK5Ag octahedra. The corner-sharing octahedral tilt angles range from 24-56°. In the third I site, I(3) is bonded to two equivalent K(2), three equivalent K(1), and one Ag(1) atom to form a mixture of distorted edge, face, and corner-sharing IK5Ag octahedra. The corner-sharing octahedral tilt angles range from 51-56°. is represented by the CIF card [CIF]
data_K2AgI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.817
_cell_length_b   10.073
_cell_length_c   19.637
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   952.792
_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  0.750  0.251  0.039  1.0
  K  K1  1  0.250  0.749  0.961  1.0
  K  K2  1  0.750  0.751  0.461  1.0
  K  K3  1  0.250  0.249  0.539  1.0
  K  K4  1  0.750  0.922  0.713  1.0
  K  K5  1  0.250  0.578  0.213  1.0
  K  K6  1  0.750  0.422  0.787  1.0
  K  K7  1  0.250  0.078  0.287  1.0
  Ag  Ag8  1  0.250  0.127  0.864  1.0
  Ag  Ag9  1  0.250  0.627  0.636  1.0
  Ag  Ag10  1  0.750  0.873  0.136  1.0
  Ag  Ag11  1  0.750  0.373  0.364  1.0
  I  I12  1  0.750  0.489  0.598  1.0
  I  I13  1  0.250  0.011  0.098  1.0
  I  I14  1  0.250  0.689  0.778  1.0
  I  I15  1  0.750  0.811  0.278  1.0
  I  I16  1  0.250  0.880  0.572  1.0
  I  I17  1  0.750  0.120  0.428  1.0
  I  I18  1  0.250  0.511  0.402  1.0
  I  I19  1  0.750  0.620  0.072  1.0
  I  I20  1  0.250  0.380  0.928  1.0
  I  I21  1  0.750  0.311  0.222  1.0
  I  I22  1  0.250  0.189  0.722  1.0
  I  I23  1  0.750  0.989  0.902  1.0
[/CIF]
.