The structure described by Yb4NiB13 crystallizes in the tetragonal P4/mnc space group. Yb(1) is bonded in a 16-coordinate geometry to one Ni(1), one B(1), six equivalent B(2), and eight equivalent B(3) atoms. Ni(1) is bonded to four equivalent Yb(1) and eight equivalent B(3) atoms to form NiYb4B8 cuboctahedra that share corners with four equivalent B(1)Yb4B8 cuboctahedra and faces with two equivalent B(1)Yb4B8 cuboctahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded to four equivalent Yb(1) and eight equivalent B(3) atoms to form BYb4B8 cuboctahedra that share corners with four equivalent Ni(1)Yb4B8 cuboctahedra and faces with two equivalent Ni(1)Yb4B8 cuboctahedra. In the second B site, B(2) is bonded in a 9-coordinate geometry to six equivalent Yb(1), one B(2), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Yb(1), one Ni(1), one B(1), one B(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_Yb4NiB13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.367
_cell_length_b   7.367
_cell_length_c   6.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.530
_cell_formula_units_Z   2
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  0.680  0.189  0.500  1.0
  Yb  Yb1  1  0.320  0.811  0.500  1.0
  Yb  Yb2  1  0.180  0.311  0.000  1.0
  Yb  Yb3  1  0.820  0.689  0.000  1.0
  Yb  Yb4  1  0.811  0.680  0.500  1.0
  Yb  Yb5  1  0.189  0.320  0.500  1.0
  Yb  Yb6  1  0.689  0.180  0.000  1.0
  Yb  Yb7  1  0.311  0.820  0.000  1.0
  Ni  Ni8  1  0.500  0.500  0.500  1.0
  Ni  Ni9  1  0.000  0.000  0.000  1.0
  B  B10  1  0.500  0.500  0.000  1.0
  B  B11  1  0.000  0.000  0.500  1.0
  B  B12  1  0.908  0.408  0.250  1.0
  B  B13  1  0.092  0.592  0.250  1.0
  B  B14  1  0.408  0.092  0.750  1.0
  B  B15  1  0.592  0.908  0.750  1.0
  B  B16  1  0.592  0.908  0.250  1.0
  B  B17  1  0.408  0.092  0.250  1.0
  B  B18  1  0.908  0.408  0.750  1.0
  B  B19  1  0.092  0.592  0.750  1.0
  B  B20  1  0.538  0.668  0.235  1.0
  B  B21  1  0.462  0.332  0.235  1.0
  B  B22  1  0.038  0.832  0.735  1.0
  B  B23  1  0.962  0.168  0.735  1.0
  B  B24  1  0.332  0.538  0.235  1.0
  B  B25  1  0.668  0.462  0.235  1.0
  B  B26  1  0.168  0.038  0.735  1.0
  B  B27  1  0.832  0.962  0.735  1.0
  B  B28  1  0.462  0.332  0.765  1.0
  B  B29  1  0.538  0.668  0.765  1.0
  B  B30  1  0.962  0.168  0.265  1.0
  B  B31  1  0.038  0.832  0.265  1.0
  B  B32  1  0.668  0.462  0.765  1.0
  B  B33  1  0.332  0.538  0.765  1.0
  B  B34  1  0.832  0.962  0.265  1.0
  B  B35  1  0.168  0.038  0.265  1.0
[/CIF]
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The structure described by Yb4NiB13 crystallizes in the tetragonal P4/mnc space group. Yb(1) is bonded in a 16-coordinate geometry to one Ni(1), one B(1), six equivalent B(2), and eight equivalent B(3) atoms. Ni(1) is bonded to four equivalent Yb(1) and eight equivalent B(3) atoms to form NiYb4B8 cuboctahedra that share corners with four equivalent B(1)Yb4B8 cuboctahedra and faces with two equivalent B(1)Yb4B8 cuboctahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded to four equivalent Yb(1) and eight equivalent B(3) atoms to form BYb4B8 cuboctahedra that share corners with four equivalent Ni(1)Yb4B8 cuboctahedra and faces with two equivalent Ni(1)Yb4B8 cuboctahedra. In the second B site, B(2) is bonded in a 9-coordinate geometry to six equivalent Yb(1), one B(2), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Yb(1), one Ni(1), one B(1), one B(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_Yb4NiB13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.367
_cell_length_b   7.367
_cell_length_c   6.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.530
_cell_formula_units_Z   2
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  0.680  0.189  0.500  1.0
  Yb  Yb1  1  0.320  0.811  0.500  1.0
  Yb  Yb2  1  0.180  0.311  0.000  1.0
  Yb  Yb3  1  0.820  0.689  0.000  1.0
  Yb  Yb4  1  0.811  0.680  0.500  1.0
  Yb  Yb5  1  0.189  0.320  0.500  1.0
  Yb  Yb6  1  0.689  0.180  0.000  1.0
  Yb  Yb7  1  0.311  0.820  0.000  1.0
  Ni  Ni8  1  0.500  0.500  0.500  1.0
  Ni  Ni9  1  0.000  0.000  0.000  1.0
  B  B10  1  0.500  0.500  0.000  1.0
  B  B11  1  0.000  0.000  0.500  1.0
  B  B12  1  0.908  0.408  0.250  1.0
  B  B13  1  0.092  0.592  0.250  1.0
  B  B14  1  0.408  0.092  0.750  1.0
  B  B15  1  0.592  0.908  0.750  1.0
  B  B16  1  0.592  0.908  0.250  1.0
  B  B17  1  0.408  0.092  0.250  1.0
  B  B18  1  0.908  0.408  0.750  1.0
  B  B19  1  0.092  0.592  0.750  1.0
  B  B20  1  0.538  0.668  0.235  1.0
  B  B21  1  0.462  0.332  0.235  1.0
  B  B22  1  0.038  0.832  0.735  1.0
  B  B23  1  0.962  0.168  0.735  1.0
  B  B24  1  0.332  0.538  0.235  1.0
  B  B25  1  0.668  0.462  0.235  1.0
  B  B26  1  0.168  0.038  0.735  1.0
  B  B27  1  0.832  0.962  0.735  1.0
  B  B28  1  0.462  0.332  0.765  1.0
  B  B29  1  0.538  0.668  0.765  1.0
  B  B30  1  0.962  0.168  0.265  1.0
  B  B31  1  0.038  0.832  0.265  1.0
  B  B32  1  0.668  0.462  0.765  1.0
  B  B33  1  0.332  0.538  0.765  1.0
  B  B34  1  0.832  0.962  0.265  1.0
  B  B35  1  0.168  0.038  0.265  1.0
[/CIF]
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