The material described by Y4CI5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one C(1), two equivalent I(1), and three equivalent I(2) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to two equivalent C(1), one I(1), one I(2), and two equivalent I(3) atoms. C(1) is bonded to two equivalent Y(1) and four equivalent Y(2) atoms to form edge-sharing CY6 octahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Y(2) and two equivalent Y(1) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Y(2) and three equivalent Y(1) atoms. In the third I site, I(3) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Y(2) atoms. is represented by the CIF card [CIF]
data_Y4CI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.984
_cell_length_b   8.565
_cell_length_c   9.657
_cell_angle_alpha   102.645
_cell_angle_beta   101.904
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.261
_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
  Y  Y0  1  0.370  0.935  0.739  1.0
  Y  Y1  1  0.000  0.811  0.001  1.0
  Y  Y2  1  0.630  0.065  0.261  1.0
  Y  Y3  1  1.000  0.189  0.999  1.0
  C  C4  1  0.500  0.000  0.000  1.0
  I  I5  1  0.835  0.658  0.670  1.0
  I  I6  1  0.831  0.177  0.662  1.0
  I  I7  1  0.169  0.823  0.338  1.0
  I  I8  1  0.500  0.500  0.000  1.0
  I  I9  1  0.165  0.342  0.330  1.0
[/CIF]
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The material described by Y4CI5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one C(1), two equivalent I(1), and three equivalent I(2) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to two equivalent C(1), one I(1), one I(2), and two equivalent I(3) atoms. C(1) is bonded to two equivalent Y(1) and four equivalent Y(2) atoms to form edge-sharing CY6 octahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Y(2) and two equivalent Y(1) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Y(2) and three equivalent Y(1) atoms. In the third I site, I(3) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Y(2) atoms. is represented by the CIF card [CIF]
data_Y4CI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.984
_cell_length_b   8.565
_cell_length_c   9.657
_cell_angle_alpha   102.645
_cell_angle_beta   101.904
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.261
_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
  Y  Y0  1  0.370  0.935  0.739  1.0
  Y  Y1  1  0.000  0.811  0.001  1.0
  Y  Y2  1  0.630  0.065  0.261  1.0
  Y  Y3  1  1.000  0.189  0.999  1.0
  C  C4  1  0.500  0.000  0.000  1.0
  I  I5  1  0.835  0.658  0.670  1.0
  I  I6  1  0.831  0.177  0.662  1.0
  I  I7  1  0.169  0.823  0.338  1.0
  I  I8  1  0.500  0.500  0.000  1.0
  I  I9  1  0.165  0.342  0.330  1.0
[/CIF]
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