The material described by KSnBr3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 9-coordinate geometry to two equivalent Br(2), three equivalent Br(1), and four equivalent Br(3) atoms. Sn(1) is bonded to one Br(3), two equivalent Br(1), and two equivalent Br(2) atoms to form edge-sharing SnBr5 square pyramids. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to three equivalent K(1) and two equivalent Sn(1) atoms to form distorted BrK3Sn2 trigonal bipyramids that share corners with eight equivalent Br(2)K2Sn2 tetrahedra,  an edgeedge with one Br(2)K2Sn2 tetrahedra, and edges with four equivalent Br(1)K3Sn2 trigonal bipyramids. In the second Br site, Br(2) is bonded to two equivalent K(1) and two equivalent Sn(1) atoms to form BrK2Sn2 tetrahedra that share corners with four equivalent Br(2)K2Sn2 tetrahedra, corners with eight equivalent Br(1)K3Sn2 trigonal bipyramids, and  an edgeedge with one Br(1)K3Sn2 trigonal bipyramid. In the third Br site, Br(3) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSnBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.477
_cell_length_b   8.957
_cell_length_c   16.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   665.042
_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  0.596  0.162  1.0
  K  K1  1  0.250  0.404  0.838  1.0
  K  K2  1  0.750  0.096  0.338  1.0
  K  K3  1  0.250  0.904  0.662  1.0
  Sn  Sn4  1  0.250  0.638  0.435  1.0
  Sn  Sn5  1  0.750  0.362  0.565  1.0
  Sn  Sn6  1  0.250  0.138  0.065  1.0
  Sn  Sn7  1  0.750  0.862  0.935  1.0
  Br  Br8  1  0.750  0.824  0.505  1.0
  Br  Br9  1  0.250  0.176  0.495  1.0
  Br  Br10  1  0.750  0.324  0.995  1.0
  Br  Br11  1  0.250  0.676  0.005  1.0
  Br  Br12  1  0.250  0.526  0.645  1.0
  Br  Br13  1  0.750  0.474  0.355  1.0
  Br  Br14  1  0.250  0.026  0.855  1.0
  Br  Br15  1  0.750  0.974  0.145  1.0
  Br  Br16  1  0.250  0.814  0.304  1.0
  Br  Br17  1  0.750  0.186  0.696  1.0
  Br  Br18  1  0.250  0.314  0.196  1.0
  Br  Br19  1  0.750  0.686  0.804  1.0
[/CIF]
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The material described by KSnBr3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 9-coordinate geometry to two equivalent Br(2), three equivalent Br(1), and four equivalent Br(3) atoms. Sn(1) is bonded to one Br(3), two equivalent Br(1), and two equivalent Br(2) atoms to form edge-sharing SnBr5 square pyramids. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to three equivalent K(1) and two equivalent Sn(1) atoms to form distorted BrK3Sn2 trigonal bipyramids that share corners with eight equivalent Br(2)K2Sn2 tetrahedra,  an edgeedge with one Br(2)K2Sn2 tetrahedra, and edges with four equivalent Br(1)K3Sn2 trigonal bipyramids. In the second Br site, Br(2) is bonded to two equivalent K(1) and two equivalent Sn(1) atoms to form BrK2Sn2 tetrahedra that share corners with four equivalent Br(2)K2Sn2 tetrahedra, corners with eight equivalent Br(1)K3Sn2 trigonal bipyramids, and  an edgeedge with one Br(1)K3Sn2 trigonal bipyramid. In the third Br site, Br(3) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSnBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.477
_cell_length_b   8.957
_cell_length_c   16.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   665.042
_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  0.596  0.162  1.0
  K  K1  1  0.250  0.404  0.838  1.0
  K  K2  1  0.750  0.096  0.338  1.0
  K  K3  1  0.250  0.904  0.662  1.0
  Sn  Sn4  1  0.250  0.638  0.435  1.0
  Sn  Sn5  1  0.750  0.362  0.565  1.0
  Sn  Sn6  1  0.250  0.138  0.065  1.0
  Sn  Sn7  1  0.750  0.862  0.935  1.0
  Br  Br8  1  0.750  0.824  0.505  1.0
  Br  Br9  1  0.250  0.176  0.495  1.0
  Br  Br10  1  0.750  0.324  0.995  1.0
  Br  Br11  1  0.250  0.676  0.005  1.0
  Br  Br12  1  0.250  0.526  0.645  1.0
  Br  Br13  1  0.750  0.474  0.355  1.0
  Br  Br14  1  0.250  0.026  0.855  1.0
  Br  Br15  1  0.750  0.974  0.145  1.0
  Br  Br16  1  0.250  0.814  0.304  1.0
  Br  Br17  1  0.750  0.186  0.696  1.0
  Br  Br18  1  0.250  0.314  0.196  1.0
  Br  Br19  1  0.750  0.686  0.804  1.0
[/CIF]
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