The material described by Er4I5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 4-coordinate geometry to one I(1), one I(2), and two equivalent I(3) atoms. In the second Er site, Er(2) is bonded in a 5-coordinate geometry to two equivalent I(1) and three equivalent I(2) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Er(1) and two equivalent Er(2) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Er(1) and three equivalent Er(2) atoms. In the third I site, I(3) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Er(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er4I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.464
_cell_length_b   9.464
_cell_length_c   8.753
_cell_angle_alpha   76.630
_cell_angle_beta   76.630
_cell_angle_gamma   23.983
_symmetry_Int_Tables_number   1
_cell_volume   309.646
_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
  Er  Er0  1  0.000  0.000  0.196  1.0
  Er  Er1  1  1.000  1.000  0.804  1.0
  Er  Er2  1  0.633  0.633  0.933  1.0
  Er  Er3  1  0.367  0.367  0.067  1.0
  I  I4  1  0.168  0.168  0.653  1.0
  I  I5  1  0.832  0.832  0.347  1.0
  I  I6  1  0.175  0.175  0.175  1.0
  I  I7  1  0.825  0.825  0.825  1.0
  I  I8  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by Er4I5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 4-coordinate geometry to one I(1), one I(2), and two equivalent I(3) atoms. In the second Er site, Er(2) is bonded in a 5-coordinate geometry to two equivalent I(1) and three equivalent I(2) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Er(1) and two equivalent Er(2) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Er(1) and three equivalent Er(2) atoms. In the third I site, I(3) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Er(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er4I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.464
_cell_length_b   9.464
_cell_length_c   8.753
_cell_angle_alpha   76.630
_cell_angle_beta   76.630
_cell_angle_gamma   23.983
_symmetry_Int_Tables_number   1
_cell_volume   309.646
_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
  Er  Er0  1  0.000  0.000  0.196  1.0
  Er  Er1  1  1.000  1.000  0.804  1.0
  Er  Er2  1  0.633  0.633  0.933  1.0
  Er  Er3  1  0.367  0.367  0.067  1.0
  I  I4  1  0.168  0.168  0.653  1.0
  I  I5  1  0.832  0.832  0.347  1.0
  I  I6  1  0.175  0.175  0.175  1.0
  I  I7  1  0.825  0.825  0.825  1.0
  I  I8  1  0.500  0.500  0.500  1.0
[/CIF]
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