The structure described by Y3Ni13B2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ni(3) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to twelve equivalent Ni(1) and six equivalent B(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted L-shaped geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Ni(2), and two equivalent B(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Ni(1), and three equivalent Ni(3) atoms. In the third Ni site, Ni(3) is bonded to four equivalent Y(1), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of face, corner, and edge-sharing NiY4Ni8 cuboctahedra. B(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Ni13B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.933
_cell_length_b   4.933
_cell_length_c   10.852
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   228.661
_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  0.000  0.000  0.672  1.0
  Y  Y1  1  0.000  0.000  0.328  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.866  1.0
  Ni  Ni4  1  0.500  0.000  0.866  1.0
  Ni  Ni5  1  0.000  0.500  0.866  1.0
  Ni  Ni6  1  0.500  0.500  0.134  1.0
  Ni  Ni7  1  0.500  0.000  0.134  1.0
  Ni  Ni8  1  0.000  0.500  0.134  1.0
  Ni  Ni9  1  0.667  0.333  0.682  1.0
  Ni  Ni10  1  0.333  0.667  0.682  1.0
  Ni  Ni11  1  0.333  0.667  0.318  1.0
  Ni  Ni12  1  0.667  0.333  0.318  1.0
  Ni  Ni13  1  0.500  0.500  0.500  1.0
  Ni  Ni14  1  0.500  0.000  0.500  1.0
  Ni  Ni15  1  0.000  0.500  0.500  1.0
  B  B16  1  0.667  0.333  0.000  1.0
  B  B17  1  0.333  0.667  0.000  1.0
[/CIF]
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The structure described by Y3Ni13B2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ni(3) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to twelve equivalent Ni(1) and six equivalent B(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted L-shaped geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Ni(2), and two equivalent B(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Ni(1), and three equivalent Ni(3) atoms. In the third Ni site, Ni(3) is bonded to four equivalent Y(1), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of face, corner, and edge-sharing NiY4Ni8 cuboctahedra. B(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Ni13B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.933
_cell_length_b   4.933
_cell_length_c   10.852
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   228.661
_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  0.000  0.000  0.672  1.0
  Y  Y1  1  0.000  0.000  0.328  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.866  1.0
  Ni  Ni4  1  0.500  0.000  0.866  1.0
  Ni  Ni5  1  0.000  0.500  0.866  1.0
  Ni  Ni6  1  0.500  0.500  0.134  1.0
  Ni  Ni7  1  0.500  0.000  0.134  1.0
  Ni  Ni8  1  0.000  0.500  0.134  1.0
  Ni  Ni9  1  0.667  0.333  0.682  1.0
  Ni  Ni10  1  0.333  0.667  0.682  1.0
  Ni  Ni11  1  0.333  0.667  0.318  1.0
  Ni  Ni12  1  0.667  0.333  0.318  1.0
  Ni  Ni13  1  0.500  0.500  0.500  1.0
  Ni  Ni14  1  0.500  0.000  0.500  1.0
  Ni  Ni15  1  0.000  0.500  0.500  1.0
  B  B16  1  0.667  0.333  0.000  1.0
  B  B17  1  0.333  0.667  0.000  1.0
[/CIF]
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