The material structure described by KSrI3 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 6-coordinate geometry to two equivalent I(2) and four equivalent I(1) atoms. Sr(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Sr(1) atoms. In the second I site, I(2) is bonded to two equivalent K(1) and two equivalent Sr(1) atoms to form distorted corner-sharing IK2Sr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.113
_cell_length_b   8.113
_cell_length_c   12.053
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.975
_symmetry_Int_Tables_number   1
_cell_volume   443.917
_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
  K  K0  1  0.250  0.750  0.250  1.0
  K  K1  1  0.750  0.250  0.750  1.0
  Sr  Sr2  1  0.000  0.000  0.000  1.0
  Sr  Sr3  1  0.000  0.000  0.500  1.0
  I  I4  1  0.640  0.360  0.063  1.0
  I  I5  1  0.360  0.640  0.937  1.0
  I  I6  1  0.360  0.640  0.563  1.0
  I  I7  1  0.640  0.360  0.437  1.0
  I  I8  1  0.919  0.081  0.250  1.0
  I  I9  1  0.081  0.919  0.750  1.0
[/CIF]
.
The material structure described by KSrI3 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 6-coordinate geometry to two equivalent I(2) and four equivalent I(1) atoms. Sr(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Sr(1) atoms. In the second I site, I(2) is bonded to two equivalent K(1) and two equivalent Sr(1) atoms to form distorted corner-sharing IK2Sr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.113
_cell_length_b   8.113
_cell_length_c   12.053
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.975
_symmetry_Int_Tables_number   1
_cell_volume   443.917
_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
  K  K0  1  0.250  0.750  0.250  1.0
  K  K1  1  0.750  0.250  0.750  1.0
  Sr  Sr2  1  0.000  0.000  0.000  1.0
  Sr  Sr3  1  0.000  0.000  0.500  1.0
  I  I4  1  0.640  0.360  0.063  1.0
  I  I5  1  0.360  0.640  0.937  1.0
  I  I6  1  0.360  0.640  0.563  1.0
  I  I7  1  0.640  0.360  0.437  1.0
  I  I8  1  0.919  0.081  0.250  1.0
  I  I9  1  0.081  0.919  0.750  1.0
[/CIF]
.