The material structure described by Y6NiI10 crystallizes in the triclinic P-1 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to one Ni(1), one I(3), one I(4), one I(5), and two equivalent I(2) atoms to form a mixture of distorted corner and edge-sharing YNiI5 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second Y site, Y(2) is bonded to one Ni(1), one I(1), one I(4), one I(5), and two equivalent I(3) atoms to form a mixture of corner and edge-sharing YNiI5 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third Y site, Y(3) is bonded to one Ni(1), one I(1), one I(2), one I(5), and two equivalent I(4) atoms to form a mixture of distorted corner and edge-sharing YNiI5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Ni(1) is bonded in an octahedral geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Y(3) atoms. There are five inequivalent I sites. In the first I site, I(1) is bonded in a distorted L-shaped geometry to one Y(2) and one Y(3) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Y(3) and two equivalent Y(1) atoms. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Y(1) and two equivalent Y(2) atoms. In the fourth I site, I(4) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(2), and two equivalent Y(3) atoms. In the fifth I site, I(5) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Y(3) atom. is represented by the CIF card [CIF]
data_Y6NiI10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.655
_cell_length_b   9.604
_cell_length_c   9.625
_cell_angle_alpha   107.263
_cell_angle_beta   96.933
_cell_angle_gamma   104.793
_symmetry_Int_Tables_number   1
_cell_volume   638.348
_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  0.887  0.960  0.238  1.0
  Y  Y1  1  0.113  0.040  0.762  1.0
  Y  Y2  1  0.030  0.718  0.916  1.0
  Y  Y3  1  0.970  0.282  0.084  1.0
  Y  Y4  1  0.657  0.878  0.837  1.0
  Y  Y5  1  0.343  0.122  0.163  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  I  I7  1  0.644  0.545  0.726  1.0
  I  I8  1  0.356  0.455  0.274  1.0
  I  I9  1  0.738  0.911  0.535  1.0
  I  I10  1  0.262  0.089  0.465  1.0
  I  I11  1  0.087  0.373  0.817  1.0
  I  I12  1  0.913  0.627  0.183  1.0
  I  I13  1  0.453  0.813  0.094  1.0
  I  I14  1  0.547  0.187  0.906  1.0
  I  I15  1  0.222  0.740  0.650  1.0
  I  I16  1  0.778  0.260  0.350  1.0
[/CIF]
.
The material structure described by Y6NiI10 crystallizes in the triclinic P-1 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to one Ni(1), one I(3), one I(4), one I(5), and two equivalent I(2) atoms to form a mixture of distorted corner and edge-sharing YNiI5 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second Y site, Y(2) is bonded to one Ni(1), one I(1), one I(4), one I(5), and two equivalent I(3) atoms to form a mixture of corner and edge-sharing YNiI5 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third Y site, Y(3) is bonded to one Ni(1), one I(1), one I(2), one I(5), and two equivalent I(4) atoms to form a mixture of distorted corner and edge-sharing YNiI5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Ni(1) is bonded in an octahedral geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Y(3) atoms. There are five inequivalent I sites. In the first I site, I(1) is bonded in a distorted L-shaped geometry to one Y(2) and one Y(3) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Y(3) and two equivalent Y(1) atoms. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Y(1) and two equivalent Y(2) atoms. In the fourth I site, I(4) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(2), and two equivalent Y(3) atoms. In the fifth I site, I(5) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Y(3) atom. is represented by the CIF card [CIF]
data_Y6NiI10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.655
_cell_length_b   9.604
_cell_length_c   9.625
_cell_angle_alpha   107.263
_cell_angle_beta   96.933
_cell_angle_gamma   104.793
_symmetry_Int_Tables_number   1
_cell_volume   638.348
_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  0.887  0.960  0.238  1.0
  Y  Y1  1  0.113  0.040  0.762  1.0
  Y  Y2  1  0.030  0.718  0.916  1.0
  Y  Y3  1  0.970  0.282  0.084  1.0
  Y  Y4  1  0.657  0.878  0.837  1.0
  Y  Y5  1  0.343  0.122  0.163  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  I  I7  1  0.644  0.545  0.726  1.0
  I  I8  1  0.356  0.455  0.274  1.0
  I  I9  1  0.738  0.911  0.535  1.0
  I  I10  1  0.262  0.089  0.465  1.0
  I  I11  1  0.087  0.373  0.817  1.0
  I  I12  1  0.913  0.627  0.183  1.0
  I  I13  1  0.453  0.813  0.094  1.0
  I  I14  1  0.547  0.187  0.906  1.0
  I  I15  1  0.222  0.740  0.650  1.0
  I  I16  1  0.778  0.260  0.350  1.0
[/CIF]
.