The material described by InIn3(SnBr3)4 crystallizes in the orthorhombic Fmm2 space group. The structure consists of eight 7440-74-6 atoms inside a In3(SnBr3)4 framework. In the In3(SnBr3)4 framework, there are two inequivalent In sites. In the first In site, In(2) is bonded in a 2-coordinate geometry to one Br(1) and one Br(4) atom. In the second In site, In(3) is bonded in a 2-coordinate geometry to one Br(2) and one Br(5) atom. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Br(4), two equivalent Br(2), and four equivalent Br(8) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to one Br(3), two equivalent Br(2), and four equivalent Br(9) atoms. In the third Sn site, Sn(3) is bonded in a distorted square pyramidal geometry to one Br(5), two equivalent Br(6), and two equivalent Br(7) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to two equivalent Br(6), two equivalent Br(7), two equivalent Br(8), and two equivalent Br(9) atoms. In the fifth Sn site, Sn(5) is bonded in a 4-coordinate geometry to one Br(1), one Br(3), and two equivalent Br(7) atoms. There are nine inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted bent 150 degrees geometry to one In(2) and one Sn(5) atom. In the second Br site, Br(2) is bonded to two equivalent In(3), one Sn(1), and one Sn(2) atom to form distorted edge-sharing BrIn2Sn2 tetrahedra. In the third Br site, Br(3) is bonded in a distorted T-shaped geometry to one Sn(2) and two equivalent Sn(5) atoms. In the fourth Br site, Br(4) is bonded in a T-shaped geometry to two equivalent In(2) and one Sn(1) atom. In the fifth Br site, Br(5) is bonded in a T-shaped geometry to two equivalent In(3) and one Sn(3) atom. In the sixth Br site, Br(6) is bonded in a 2-coordinate geometry to one Sn(3) and one Sn(4) atom. In the seventh Br site, Br(7) is bonded in a distorted T-shaped geometry to one Sn(3), one Sn(4), and one Sn(5) atom. In the eighth Br site, Br(8) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one Sn(4) atom. In the ninth Br site, Br(9) is bonded in a distorted linear geometry to one Sn(2) and one Sn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_InSnBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.550
_cell_length_b   12.063
_cell_length_c   11.935
_cell_angle_alpha   63.057
_cell_angle_beta   58.969
_cell_angle_gamma   57.974
_symmetry_Int_Tables_number   1
_cell_volume   1271.902
_cell_formula_units_Z   8
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  0.001  0.501  0.499  1.0
  In  In1  1  0.501  0.001  0.999  1.0
  In  In2  1  0.649  0.018  0.351  1.0
  In  In3  1  0.477  0.522  0.857  1.0
  In  In4  1  0.143  0.856  0.523  1.0
  In  In5  1  0.018  0.649  0.982  1.0
  In  In6  1  0.522  0.477  0.144  1.0
  In  In7  1  0.856  0.143  0.478  1.0
  Sn  Sn8  1  0.649  0.649  0.351  1.0
  Sn  Sn9  1  0.369  0.369  0.631  1.0
  Sn  Sn10  1  0.149  0.844  0.156  1.0
  Sn  Sn11  1  0.844  0.149  0.851  1.0
  Sn  Sn12  1  0.752  0.752  0.748  1.0
  Sn  Sn13  1  0.252  0.252  0.248  1.0
  Sn  Sn14  1  0.990  0.333  0.010  1.0
  Sn  Sn15  1  0.333  0.990  0.667  1.0
  Br  Br16  1  0.877  0.140  0.123  1.0
  Br  Br17  1  0.383  0.613  0.617  1.0
  Br  Br18  1  0.140  0.877  0.860  1.0
  Br  Br19  1  0.613  0.383  0.387  1.0
  Br  Br20  1  0.187  0.187  0.813  1.0
  Br  Br21  1  0.812  0.812  0.188  1.0
  Br  Br22  1  0.692  0.313  0.687  1.0
  Br  Br23  1  0.313  0.692  0.308  1.0
  Br  Br24  1  0.927  0.835  0.437  1.0
  Br  Br25  1  0.808  0.433  0.843  1.0
  Br  Br26  1  0.420  0.939  0.352  1.0
  Br  Br27  1  0.291  0.337  0.939  1.0
  Br  Br28  1  0.648  0.711  0.580  1.0
  Br  Br29  1  0.061  0.567  0.709  1.0
  Br  Br30  1  0.563  0.199  0.073  1.0
  Br  Br31  1  0.157  0.084  0.192  1.0
  Br  Br32  1  0.084  0.157  0.567  1.0
  Br  Br33  1  0.199  0.563  0.165  1.0
  Br  Br34  1  0.567  0.061  0.663  1.0
  Br  Br35  1  0.711  0.648  0.061  1.0
  Br  Br36  1  0.337  0.291  0.433  1.0
  Br  Br37  1  0.939  0.420  0.289  1.0
  Br  Br38  1  0.433  0.808  0.916  1.0
  Br  Br39  1  0.835  0.927  0.801  1.0
[/CIF]
.
The material described by InIn3(SnBr3)4 crystallizes in the orthorhombic Fmm2 space group. The structure consists of eight 7440-74-6 atoms inside a In3(SnBr3)4 framework. In the In3(SnBr3)4 framework, there are two inequivalent In sites. In the first In site, In(2) is bonded in a 2-coordinate geometry to one Br(1) and one Br(4) atom. In the second In site, In(3) is bonded in a 2-coordinate geometry to one Br(2) and one Br(5) atom. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Br(4), two equivalent Br(2), and four equivalent Br(8) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to one Br(3), two equivalent Br(2), and four equivalent Br(9) atoms. In the third Sn site, Sn(3) is bonded in a distorted square pyramidal geometry to one Br(5), two equivalent Br(6), and two equivalent Br(7) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to two equivalent Br(6), two equivalent Br(7), two equivalent Br(8), and two equivalent Br(9) atoms. In the fifth Sn site, Sn(5) is bonded in a 4-coordinate geometry to one Br(1), one Br(3), and two equivalent Br(7) atoms. There are nine inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted bent 150 degrees geometry to one In(2) and one Sn(5) atom. In the second Br site, Br(2) is bonded to two equivalent In(3), one Sn(1), and one Sn(2) atom to form distorted edge-sharing BrIn2Sn2 tetrahedra. In the third Br site, Br(3) is bonded in a distorted T-shaped geometry to one Sn(2) and two equivalent Sn(5) atoms. In the fourth Br site, Br(4) is bonded in a T-shaped geometry to two equivalent In(2) and one Sn(1) atom. In the fifth Br site, Br(5) is bonded in a T-shaped geometry to two equivalent In(3) and one Sn(3) atom. In the sixth Br site, Br(6) is bonded in a 2-coordinate geometry to one Sn(3) and one Sn(4) atom. In the seventh Br site, Br(7) is bonded in a distorted T-shaped geometry to one Sn(3), one Sn(4), and one Sn(5) atom. In the eighth Br site, Br(8) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one Sn(4) atom. In the ninth Br site, Br(9) is bonded in a distorted linear geometry to one Sn(2) and one Sn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_InSnBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.550
_cell_length_b   12.063
_cell_length_c   11.935
_cell_angle_alpha   63.057
_cell_angle_beta   58.969
_cell_angle_gamma   57.974
_symmetry_Int_Tables_number   1
_cell_volume   1271.902
_cell_formula_units_Z   8
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  0.001  0.501  0.499  1.0
  In  In1  1  0.501  0.001  0.999  1.0
  In  In2  1  0.649  0.018  0.351  1.0
  In  In3  1  0.477  0.522  0.857  1.0
  In  In4  1  0.143  0.856  0.523  1.0
  In  In5  1  0.018  0.649  0.982  1.0
  In  In6  1  0.522  0.477  0.144  1.0
  In  In7  1  0.856  0.143  0.478  1.0
  Sn  Sn8  1  0.649  0.649  0.351  1.0
  Sn  Sn9  1  0.369  0.369  0.631  1.0
  Sn  Sn10  1  0.149  0.844  0.156  1.0
  Sn  Sn11  1  0.844  0.149  0.851  1.0
  Sn  Sn12  1  0.752  0.752  0.748  1.0
  Sn  Sn13  1  0.252  0.252  0.248  1.0
  Sn  Sn14  1  0.990  0.333  0.010  1.0
  Sn  Sn15  1  0.333  0.990  0.667  1.0
  Br  Br16  1  0.877  0.140  0.123  1.0
  Br  Br17  1  0.383  0.613  0.617  1.0
  Br  Br18  1  0.140  0.877  0.860  1.0
  Br  Br19  1  0.613  0.383  0.387  1.0
  Br  Br20  1  0.187  0.187  0.813  1.0
  Br  Br21  1  0.812  0.812  0.188  1.0
  Br  Br22  1  0.692  0.313  0.687  1.0
  Br  Br23  1  0.313  0.692  0.308  1.0
  Br  Br24  1  0.927  0.835  0.437  1.0
  Br  Br25  1  0.808  0.433  0.843  1.0
  Br  Br26  1  0.420  0.939  0.352  1.0
  Br  Br27  1  0.291  0.337  0.939  1.0
  Br  Br28  1  0.648  0.711  0.580  1.0
  Br  Br29  1  0.061  0.567  0.709  1.0
  Br  Br30  1  0.563  0.199  0.073  1.0
  Br  Br31  1  0.157  0.084  0.192  1.0
  Br  Br32  1  0.084  0.157  0.567  1.0
  Br  Br33  1  0.199  0.563  0.165  1.0
  Br  Br34  1  0.567  0.061  0.663  1.0
  Br  Br35  1  0.711  0.648  0.061  1.0
  Br  Br36  1  0.337  0.291  0.433  1.0
  Br  Br37  1  0.939  0.420  0.289  1.0
  Br  Br38  1  0.433  0.808  0.916  1.0
  Br  Br39  1  0.835  0.927  0.801  1.0
[/CIF]
.