The crystal structure described by InSnBr3 crystallizes in the trigonal R3c space group. In(1) is bonded in a 3-coordinate geometry to three equivalent Br(1) atoms. Sn(1) is bonded to six equivalent Br(1) atoms to form corner-sharing SnBr6 octahedra. The corner-sharing octahedral tilt angles are 31°. Br(1) is bonded in a 2-coordinate geometry to one In(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_InSnBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.260
_cell_length_b   8.260
_cell_length_c   8.260
_cell_angle_alpha   59.351
_cell_angle_beta   59.351
_cell_angle_gamma   59.351
_symmetry_Int_Tables_number   1
_cell_volume   392.538
_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
  In  In0  1  0.706  0.706  0.706  1.0
  In  In1  1  0.206  0.206  0.206  1.0
  Sn  Sn2  1  0.003  0.003  0.003  1.0
  Sn  Sn3  1  0.503  0.503  0.503  1.0
  Br  Br4  1  0.784  0.141  0.338  1.0
  Br  Br5  1  0.141  0.338  0.784  1.0
  Br  Br6  1  0.338  0.784  0.141  1.0
  Br  Br7  1  0.838  0.641  0.284  1.0
  Br  Br8  1  0.284  0.838  0.641  1.0
  Br  Br9  1  0.641  0.284  0.838  1.0
[/CIF]
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The crystal structure described by InSnBr3 crystallizes in the trigonal R3c space group. In(1) is bonded in a 3-coordinate geometry to three equivalent Br(1) atoms. Sn(1) is bonded to six equivalent Br(1) atoms to form corner-sharing SnBr6 octahedra. The corner-sharing octahedral tilt angles are 31°. Br(1) is bonded in a 2-coordinate geometry to one In(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_InSnBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.260
_cell_length_b   8.260
_cell_length_c   8.260
_cell_angle_alpha   59.351
_cell_angle_beta   59.351
_cell_angle_gamma   59.351
_symmetry_Int_Tables_number   1
_cell_volume   392.538
_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
  In  In0  1  0.706  0.706  0.706  1.0
  In  In1  1  0.206  0.206  0.206  1.0
  Sn  Sn2  1  0.003  0.003  0.003  1.0
  Sn  Sn3  1  0.503  0.503  0.503  1.0
  Br  Br4  1  0.784  0.141  0.338  1.0
  Br  Br5  1  0.141  0.338  0.784  1.0
  Br  Br6  1  0.338  0.784  0.141  1.0
  Br  Br7  1  0.838  0.641  0.284  1.0
  Br  Br8  1  0.284  0.838  0.641  1.0
  Br  Br9  1  0.641  0.284  0.838  1.0
[/CIF]
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