The material structure described by KTmI3 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 8-coordinate geometry to two equivalent I(2) and six equivalent I(1) atoms. Tm(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form a mixture of edge and corner-sharing TmI6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Tm(1) atoms. In the second I site, I(2) is bonded to two equivalent K(1) and two equivalent Tm(1) atoms to form distorted corner-sharing IK2Tm2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTmI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.114
_cell_length_b   8.114
_cell_length_c   11.539
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.380
_symmetry_Int_Tables_number   1
_cell_volume   386.923
_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  0.751  0.249  0.750  1.0
  K  K1  1  0.249  0.751  0.250  1.0
  Tm  Tm2  1  0.000  0.000  0.000  1.0
  Tm  Tm3  1  0.000  0.000  0.500  1.0
  I  I4  1  0.634  0.366  0.446  1.0
  I  I5  1  0.634  0.366  0.054  1.0
  I  I6  1  0.366  0.634  0.554  1.0
  I  I7  1  0.366  0.634  0.946  1.0
  I  I8  1  0.066  0.934  0.750  1.0
  I  I9  1  0.934  0.066  0.250  1.0
[/CIF]
.
The material structure described by KTmI3 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 8-coordinate geometry to two equivalent I(2) and six equivalent I(1) atoms. Tm(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form a mixture of edge and corner-sharing TmI6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Tm(1) atoms. In the second I site, I(2) is bonded to two equivalent K(1) and two equivalent Tm(1) atoms to form distorted corner-sharing IK2Tm2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTmI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.114
_cell_length_b   8.114
_cell_length_c   11.539
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.380
_symmetry_Int_Tables_number   1
_cell_volume   386.923
_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  0.751  0.249  0.750  1.0
  K  K1  1  0.249  0.751  0.250  1.0
  Tm  Tm2  1  0.000  0.000  0.000  1.0
  Tm  Tm3  1  0.000  0.000  0.500  1.0
  I  I4  1  0.634  0.366  0.446  1.0
  I  I5  1  0.634  0.366  0.054  1.0
  I  I6  1  0.366  0.634  0.554  1.0
  I  I7  1  0.366  0.634  0.946  1.0
  I  I8  1  0.066  0.934  0.750  1.0
  I  I9  1  0.934  0.066  0.250  1.0
[/CIF]
.