The structure described by Y6NiBr10 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 Br(3), one Br(4), one Br(5), and two equivalent Br(2) atoms to form a mixture of edge and corner-sharing YNiBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Y site, Y(2) is bonded to one Ni(1), one Br(1), one Br(4), one Br(5), and two equivalent Br(3) atoms to form a mixture of edge and corner-sharing YNiBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third Y site, Y(3) is bonded to one Ni(1), one Br(1), one Br(2), one Br(5), and two equivalent Br(4) atoms to form a mixture of edge and corner-sharing YNiBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. 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 Br sites. In the first Br site, Br(1) is bonded in an L-shaped geometry to one Y(2) and one Y(3) atom. In the second Br site, Br(2) is bonded in a T-shaped geometry to one Y(3) and two equivalent Y(1) atoms. In the third Br site, Br(3) is bonded in a T-shaped geometry to one Y(1) and two equivalent Y(2) atoms. In the fourth Br site, Br(4) is bonded in a see-saw-like geometry to one Y(1), one Y(2), and two equivalent Y(3) atoms. In the fifth Br site, Br(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_Y6NiBr10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.260
_cell_length_b   9.054
_cell_length_c   9.081
_cell_angle_alpha   108.185
_cell_angle_beta   97.088
_cell_angle_gamma   105.589
_symmetry_Int_Tables_number   1
_cell_volume   532.079
_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  0.877  0.956  0.246  1.0
  Y  Y1  1  0.123  0.044  0.754  1.0
  Y  Y2  1  0.028  0.703  0.907  1.0
  Y  Y3  1  0.972  0.297  0.093  1.0
  Y  Y4  1  0.642  0.866  0.823  1.0
  Y  Y5  1  0.358  0.134  0.177  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  Br  Br7  1  0.640  0.540  0.725  1.0
  Br  Br8  1  0.360  0.460  0.275  1.0
  Br  Br9  1  0.742  0.914  0.537  1.0
  Br  Br10  1  0.258  0.086  0.463  1.0
  Br  Br11  1  0.913  0.628  0.178  1.0
  Br  Br12  1  0.087  0.372  0.822  1.0
  Br  Br13  1  0.549  0.182  0.912  1.0
  Br  Br14  1  0.451  0.818  0.088  1.0
  Br  Br15  1  0.214  0.739  0.647  1.0
  Br  Br16  1  0.786  0.261  0.353  1.0
[/CIF]
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The structure described by Y6NiBr10 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 Br(3), one Br(4), one Br(5), and two equivalent Br(2) atoms to form a mixture of edge and corner-sharing YNiBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Y site, Y(2) is bonded to one Ni(1), one Br(1), one Br(4), one Br(5), and two equivalent Br(3) atoms to form a mixture of edge and corner-sharing YNiBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third Y site, Y(3) is bonded to one Ni(1), one Br(1), one Br(2), one Br(5), and two equivalent Br(4) atoms to form a mixture of edge and corner-sharing YNiBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. 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 Br sites. In the first Br site, Br(1) is bonded in an L-shaped geometry to one Y(2) and one Y(3) atom. In the second Br site, Br(2) is bonded in a T-shaped geometry to one Y(3) and two equivalent Y(1) atoms. In the third Br site, Br(3) is bonded in a T-shaped geometry to one Y(1) and two equivalent Y(2) atoms. In the fourth Br site, Br(4) is bonded in a see-saw-like geometry to one Y(1), one Y(2), and two equivalent Y(3) atoms. In the fifth Br site, Br(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_Y6NiBr10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.260
_cell_length_b   9.054
_cell_length_c   9.081
_cell_angle_alpha   108.185
_cell_angle_beta   97.088
_cell_angle_gamma   105.589
_symmetry_Int_Tables_number   1
_cell_volume   532.079
_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  0.877  0.956  0.246  1.0
  Y  Y1  1  0.123  0.044  0.754  1.0
  Y  Y2  1  0.028  0.703  0.907  1.0
  Y  Y3  1  0.972  0.297  0.093  1.0
  Y  Y4  1  0.642  0.866  0.823  1.0
  Y  Y5  1  0.358  0.134  0.177  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  Br  Br7  1  0.640  0.540  0.725  1.0
  Br  Br8  1  0.360  0.460  0.275  1.0
  Br  Br9  1  0.742  0.914  0.537  1.0
  Br  Br10  1  0.258  0.086  0.463  1.0
  Br  Br11  1  0.913  0.628  0.178  1.0
  Br  Br12  1  0.087  0.372  0.822  1.0
  Br  Br13  1  0.549  0.182  0.912  1.0
  Br  Br14  1  0.451  0.818  0.088  1.0
  Br  Br15  1  0.214  0.739  0.647  1.0
  Br  Br16  1  0.786  0.261  0.353  1.0
[/CIF]
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