The crystal structure described by Yb3Ni13B2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 18-coordinate geometry to twelve equivalent Ni(1) and six equivalent B(1) atoms. In the second Yb site, Yb(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ni(3) 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 Yb(1), two equivalent Yb(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 Yb(2), three equivalent Ni(1), and three equivalent Ni(3) atoms. In the third Ni site, Ni(3) is bonded to four equivalent Yb(2), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of edge, face, and corner-sharing NiYb4Ni8 cuboctahedra. B(1) is bonded in a 6-coordinate geometry to three equivalent Yb(1) and six equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3Ni13B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.857
_cell_length_b   4.857
_cell_length_c   10.663
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.995
_symmetry_Int_Tables_number   1
_cell_volume   217.885
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.000  0.000  0.327  1.0
  Yb  Yb2  1  0.000  0.000  0.673  1.0
  Ni  Ni3  1  0.500  0.500  0.132  1.0
  Ni  Ni4  1  0.000  0.500  0.132  1.0
  Ni  Ni5  1  0.500  0.000  0.132  1.0
  Ni  Ni6  1  0.667  0.333  0.319  1.0
  Ni  Ni7  1  0.333  0.667  0.319  1.0
  Ni  Ni8  1  0.000  0.500  0.500  1.0
  Ni  Ni9  1  0.500  0.000  0.500  1.0
  Ni  Ni10  1  0.500  0.500  0.500  1.0
  Ni  Ni11  1  0.333  0.667  0.681  1.0
  Ni  Ni12  1  0.667  0.333  0.681  1.0
  Ni  Ni13  1  0.500  0.000  0.868  1.0
  Ni  Ni14  1  0.000  0.500  0.868  1.0
  Ni  Ni15  1  0.500  0.500  0.868  1.0
  B  B16  1  0.333  0.667  0.000  1.0
  B  B17  1  0.667  0.333  0.000  1.0
[/CIF]
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The crystal structure described by Yb3Ni13B2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 18-coordinate geometry to twelve equivalent Ni(1) and six equivalent B(1) atoms. In the second Yb site, Yb(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ni(3) 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 Yb(1), two equivalent Yb(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 Yb(2), three equivalent Ni(1), and three equivalent Ni(3) atoms. In the third Ni site, Ni(3) is bonded to four equivalent Yb(2), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of edge, face, and corner-sharing NiYb4Ni8 cuboctahedra. B(1) is bonded in a 6-coordinate geometry to three equivalent Yb(1) and six equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3Ni13B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.857
_cell_length_b   4.857
_cell_length_c   10.663
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.995
_symmetry_Int_Tables_number   1
_cell_volume   217.885
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.000  0.000  0.327  1.0
  Yb  Yb2  1  0.000  0.000  0.673  1.0
  Ni  Ni3  1  0.500  0.500  0.132  1.0
  Ni  Ni4  1  0.000  0.500  0.132  1.0
  Ni  Ni5  1  0.500  0.000  0.132  1.0
  Ni  Ni6  1  0.667  0.333  0.319  1.0
  Ni  Ni7  1  0.333  0.667  0.319  1.0
  Ni  Ni8  1  0.000  0.500  0.500  1.0
  Ni  Ni9  1  0.500  0.000  0.500  1.0
  Ni  Ni10  1  0.500  0.500  0.500  1.0
  Ni  Ni11  1  0.333  0.667  0.681  1.0
  Ni  Ni12  1  0.667  0.333  0.681  1.0
  Ni  Ni13  1  0.500  0.000  0.868  1.0
  Ni  Ni14  1  0.000  0.500  0.868  1.0
  Ni  Ni15  1  0.500  0.500  0.868  1.0
  B  B16  1  0.333  0.667  0.000  1.0
  B  B17  1  0.667  0.333  0.000  1.0
[/CIF]
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