The compound described by Er6I7 crystallizes in the monoclinic C2/m space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 4-coordinate geometry to one I(2), one I(3), and two equivalent I(4) atoms. In the second Er site, Er(2) is bonded in a 3-coordinate geometry to one I(1) and two equivalent I(3) atoms. In the third Er site, Er(3) is bonded in a 4-coordinate geometry to two equivalent I(1) and three equivalent I(2) atoms. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Er(2) and two equivalent Er(3) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Er(1) and three equivalent Er(3) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Er(1) and two equivalent Er(2) atoms. In the fourth I site, I(4) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Er(1) atoms. is represented by the CIF card [CIF]
data_Er6I7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.215
_cell_length_b   11.215
_cell_length_c   12.472
_cell_angle_alpha   58.235
_cell_angle_beta   58.235
_cell_angle_gamma   20.290
_symmetry_Int_Tables_number   1
_cell_volume   459.627
_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  0.132  0.132  0.447  1.0
  Er  Er1  1  0.312  0.312  0.376  1.0
  Er  Er2  1  0.763  0.763  0.194  1.0
  Er  Er3  1  0.688  0.688  0.624  1.0
  Er  Er4  1  0.237  0.237  0.806  1.0
  Er  Er5  1  0.868  0.868  0.553  1.0
  I  I6  1  0.613  0.613  0.932  1.0
  I  I7  1  0.165  0.165  0.165  1.0
  I  I8  1  0.835  0.835  0.835  1.0
  I  I9  1  0.387  0.387  0.068  1.0
  I  I10  1  0.053  0.053  0.730  1.0
  I  I11  1  0.500  0.500  0.500  1.0
  I  I12  1  0.947  0.947  0.270  1.0
[/CIF]
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The compound described by Er6I7 crystallizes in the monoclinic C2/m space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 4-coordinate geometry to one I(2), one I(3), and two equivalent I(4) atoms. In the second Er site, Er(2) is bonded in a 3-coordinate geometry to one I(1) and two equivalent I(3) atoms. In the third Er site, Er(3) is bonded in a 4-coordinate geometry to two equivalent I(1) and three equivalent I(2) atoms. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Er(2) and two equivalent Er(3) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Er(1) and three equivalent Er(3) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Er(1) and two equivalent Er(2) atoms. In the fourth I site, I(4) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Er(1) atoms. is represented by the CIF card [CIF]
data_Er6I7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.215
_cell_length_b   11.215
_cell_length_c   12.472
_cell_angle_alpha   58.235
_cell_angle_beta   58.235
_cell_angle_gamma   20.290
_symmetry_Int_Tables_number   1
_cell_volume   459.627
_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  0.132  0.132  0.447  1.0
  Er  Er1  1  0.312  0.312  0.376  1.0
  Er  Er2  1  0.763  0.763  0.194  1.0
  Er  Er3  1  0.688  0.688  0.624  1.0
  Er  Er4  1  0.237  0.237  0.806  1.0
  Er  Er5  1  0.868  0.868  0.553  1.0
  I  I6  1  0.613  0.613  0.932  1.0
  I  I7  1  0.165  0.165  0.165  1.0
  I  I8  1  0.835  0.835  0.835  1.0
  I  I9  1  0.387  0.387  0.068  1.0
  I  I10  1  0.053  0.053  0.730  1.0
  I  I11  1  0.500  0.500  0.500  1.0
  I  I12  1  0.947  0.947  0.270  1.0
[/CIF]
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