The crystal structure described by K2SnBr6 crystallizes in the tetragonal P4/mnc space group. K(1) is bonded in a body-centered cubic geometry to four equivalent Br(1) and four equivalent Br(2) atoms. Sn(1) is bonded in an octahedral geometry to two equivalent Br(1) and four equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Sn(1) atom. In the second Br site, Br(1) is bonded to four equivalent K(1) and one Sn(1) atom to form a mixture of edge and corner-sharing BrK4Sn square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2SnBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.351
_cell_length_b   7.351
_cell_length_c   11.106
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.188
_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  0.000  0.500  0.750  1.0
  K  K1  1  0.500  0.000  0.750  1.0
  K  K2  1  0.000  0.500  0.250  1.0
  K  K3  1  0.500  0.000  0.250  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  Sn  Sn5  1  0.500  0.500  0.500  1.0
  Br  Br6  1  0.000  0.000  0.238  1.0
  Br  Br7  1  0.500  0.500  0.262  1.0
  Br  Br8  1  0.000  0.000  0.762  1.0
  Br  Br9  1  0.500  0.500  0.738  1.0
  Br  Br10  1  0.192  0.700  0.000  1.0
  Br  Br11  1  0.800  0.308  0.500  1.0
  Br  Br12  1  0.808  0.300  0.000  1.0
  Br  Br13  1  0.200  0.692  0.500  1.0
  Br  Br14  1  0.308  0.200  0.500  1.0
  Br  Br15  1  0.692  0.800  0.500  1.0
  Br  Br16  1  0.300  0.192  0.000  1.0
  Br  Br17  1  0.700  0.808  0.000  1.0
[/CIF]
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The crystal structure described by K2SnBr6 crystallizes in the tetragonal P4/mnc space group. K(1) is bonded in a body-centered cubic geometry to four equivalent Br(1) and four equivalent Br(2) atoms. Sn(1) is bonded in an octahedral geometry to two equivalent Br(1) and four equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Sn(1) atom. In the second Br site, Br(1) is bonded to four equivalent K(1) and one Sn(1) atom to form a mixture of edge and corner-sharing BrK4Sn square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2SnBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.351
_cell_length_b   7.351
_cell_length_c   11.106
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.188
_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  0.000  0.500  0.750  1.0
  K  K1  1  0.500  0.000  0.750  1.0
  K  K2  1  0.000  0.500  0.250  1.0
  K  K3  1  0.500  0.000  0.250  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  Sn  Sn5  1  0.500  0.500  0.500  1.0
  Br  Br6  1  0.000  0.000  0.238  1.0
  Br  Br7  1  0.500  0.500  0.262  1.0
  Br  Br8  1  0.000  0.000  0.762  1.0
  Br  Br9  1  0.500  0.500  0.738  1.0
  Br  Br10  1  0.192  0.700  0.000  1.0
  Br  Br11  1  0.800  0.308  0.500  1.0
  Br  Br12  1  0.808  0.300  0.000  1.0
  Br  Br13  1  0.200  0.692  0.500  1.0
  Br  Br14  1  0.308  0.200  0.500  1.0
  Br  Br15  1  0.692  0.800  0.500  1.0
  Br  Br16  1  0.300  0.192  0.000  1.0
  Br  Br17  1  0.700  0.808  0.000  1.0
[/CIF]
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