The material described by CsInI4 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 11-coordinate geometry to two equivalent I(4), three equivalent I(1), three equivalent I(2), and three equivalent I(3) atoms. In(1) is bonded in a tetrahedral geometry to one I(1), one I(2), one I(3), and one I(4) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one In(1) atom. In the second I site, I(2) is bonded to three equivalent Cs(1) and one In(1) atom to form a mixture of distorted corner and edge-sharing ICs3In trigonal pyramids. In the third I site, I(3) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one In(1) atom. In the fourth I site, I(4) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one In(1) atom. is represented by the CIF file [CIF]
data_CsInI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.029
_cell_length_b   7.496
_cell_length_c   8.681
_cell_angle_alpha   73.909
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1189.730
_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
  Cs  Cs0  1  0.870  0.187  0.709  1.0
  Cs  Cs1  1  0.630  0.187  0.209  1.0
  Cs  Cs2  1  0.370  0.813  0.791  1.0
  Cs  Cs3  1  0.130  0.813  0.291  1.0
  In  In4  1  0.872  0.807  0.296  1.0
  In  In5  1  0.372  0.193  0.204  1.0
  In  In6  1  0.628  0.807  0.796  1.0
  In  In7  1  0.128  0.193  0.704  1.0
  I  I8  1  0.254  0.372  0.641  1.0
  I  I9  1  0.051  0.274  0.426  1.0
  I  I10  1  0.746  0.628  0.359  1.0
  I  I11  1  0.551  0.726  0.074  1.0
  I  I12  1  0.658  0.182  0.705  1.0
  I  I13  1  0.842  0.182  0.205  1.0
  I  I14  1  0.449  0.274  0.926  1.0
  I  I15  1  0.246  0.372  0.141  1.0
  I  I16  1  0.754  0.628  0.859  1.0
  I  I17  1  0.949  0.726  0.574  1.0
  I  I18  1  0.451  0.275  0.437  1.0
  I  I19  1  0.951  0.725  0.063  1.0
  I  I20  1  0.342  0.818  0.295  1.0
  I  I21  1  0.158  0.818  0.795  1.0
  I  I22  1  0.549  0.725  0.563  1.0
  I  I23  1  0.049  0.275  0.937  1.0
[/CIF]
.
The material described by CsInI4 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 11-coordinate geometry to two equivalent I(4), three equivalent I(1), three equivalent I(2), and three equivalent I(3) atoms. In(1) is bonded in a tetrahedral geometry to one I(1), one I(2), one I(3), and one I(4) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one In(1) atom. In the second I site, I(2) is bonded to three equivalent Cs(1) and one In(1) atom to form a mixture of distorted corner and edge-sharing ICs3In trigonal pyramids. In the third I site, I(3) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one In(1) atom. In the fourth I site, I(4) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one In(1) atom. is represented by the CIF file [CIF]
data_CsInI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.029
_cell_length_b   7.496
_cell_length_c   8.681
_cell_angle_alpha   73.909
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1189.730
_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
  Cs  Cs0  1  0.870  0.187  0.709  1.0
  Cs  Cs1  1  0.630  0.187  0.209  1.0
  Cs  Cs2  1  0.370  0.813  0.791  1.0
  Cs  Cs3  1  0.130  0.813  0.291  1.0
  In  In4  1  0.872  0.807  0.296  1.0
  In  In5  1  0.372  0.193  0.204  1.0
  In  In6  1  0.628  0.807  0.796  1.0
  In  In7  1  0.128  0.193  0.704  1.0
  I  I8  1  0.254  0.372  0.641  1.0
  I  I9  1  0.051  0.274  0.426  1.0
  I  I10  1  0.746  0.628  0.359  1.0
  I  I11  1  0.551  0.726  0.074  1.0
  I  I12  1  0.658  0.182  0.705  1.0
  I  I13  1  0.842  0.182  0.205  1.0
  I  I14  1  0.449  0.274  0.926  1.0
  I  I15  1  0.246  0.372  0.141  1.0
  I  I16  1  0.754  0.628  0.859  1.0
  I  I17  1  0.949  0.726  0.574  1.0
  I  I18  1  0.451  0.275  0.437  1.0
  I  I19  1  0.951  0.725  0.063  1.0
  I  I20  1  0.342  0.818  0.295  1.0
  I  I21  1  0.158  0.818  0.795  1.0
  I  I22  1  0.549  0.725  0.563  1.0
  I  I23  1  0.049  0.275  0.937  1.0
[/CIF]
.