The structure described by InSnBr3 crystallizes in the triclinic P1 space group. In(1) is bonded in a 3-coordinate geometry to one Br(1), one Br(2), and one Br(3) atom. Sn(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form corner-sharing SnBr6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a T-shaped geometry to one In(1) and two equivalent Sn(1) atoms. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one In(1) and two equivalent Sn(1) atoms. In the third Br site, Br(3) is bonded in a T-shaped geometry to one In(1) and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_InSnBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.933
_cell_length_b   5.960
_cell_length_c   5.986
_cell_angle_alpha   85.063
_cell_angle_beta   87.216
_cell_angle_gamma   88.380
_symmetry_Int_Tables_number   1
_cell_volume   210.543
_cell_formula_units_Z   1
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  0.080  0.105  0.118  1.0
  Sn  Sn1  1  0.488  0.496  0.480  1.0
  Br  Br2  1  0.993  0.479  0.450  1.0
  Br  Br3  1  0.462  0.454  0.951  1.0
  Br  Br4  1  0.478  0.977  0.441  1.0
[/CIF]
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The structure described by InSnBr3 crystallizes in the triclinic P1 space group. In(1) is bonded in a 3-coordinate geometry to one Br(1), one Br(2), and one Br(3) atom. Sn(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form corner-sharing SnBr6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a T-shaped geometry to one In(1) and two equivalent Sn(1) atoms. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one In(1) and two equivalent Sn(1) atoms. In the third Br site, Br(3) is bonded in a T-shaped geometry to one In(1) and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_InSnBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.933
_cell_length_b   5.960
_cell_length_c   5.986
_cell_angle_alpha   85.063
_cell_angle_beta   87.216
_cell_angle_gamma   88.380
_symmetry_Int_Tables_number   1
_cell_volume   210.543
_cell_formula_units_Z   1
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  0.080  0.105  0.118  1.0
  Sn  Sn1  1  0.488  0.496  0.480  1.0
  Br  Br2  1  0.993  0.479  0.450  1.0
  Br  Br3  1  0.462  0.454  0.951  1.0
  Br  Br4  1  0.478  0.977  0.441  1.0
[/CIF]
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