The crystal structure described by Yb3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to one Yb(2), three equivalent Ni(2), and nine equivalent Ni(1) atoms. In the second Yb site, Yb(2) is bonded in a 20-coordinate geometry to two equivalent Yb(1), twelve equivalent Ni(1), three equivalent B(1), and three equivalent B(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted L-shaped geometry to two equivalent Yb(2), three equivalent Yb(1), one Ni(2), one B(1), and one B(2) atom. In the second Ni site, Ni(2) is bonded to six equivalent Yb(1) and six equivalent Ni(1) atoms to form edge-sharing NiYb6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Yb(2) and six equivalent Ni(1) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Yb(2) and six equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Yb3Ni7B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.950
_cell_length_b   4.950
_cell_length_c   13.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   294.483
_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  0.667  0.333  0.535  1.0
  Yb  Yb1  1  0.333  0.667  0.465  1.0
  Yb  Yb2  1  0.333  0.667  0.035  1.0
  Yb  Yb3  1  0.667  0.333  0.750  1.0
  Yb  Yb4  1  0.667  0.333  0.965  1.0
  Yb  Yb5  1  0.333  0.667  0.250  1.0
  Ni  Ni6  1  0.165  0.331  0.650  1.0
  Ni  Ni7  1  0.331  0.165  0.350  1.0
  Ni  Ni8  1  0.331  0.165  0.149  1.0
  Ni  Ni9  1  0.165  0.835  0.851  1.0
  Ni  Ni10  1  0.835  0.669  0.350  1.0
  Ni  Ni11  1  0.835  0.165  0.149  1.0
  Ni  Ni12  1  0.669  0.835  0.650  1.0
  Ni  Ni13  1  0.669  0.835  0.851  1.0
  Ni  Ni14  1  0.165  0.835  0.650  1.0
  Ni  Ni15  1  0.835  0.669  0.149  1.0
  Ni  Ni16  1  0.000  0.000  0.000  1.0
  Ni  Ni17  1  0.165  0.331  0.851  1.0
  Ni  Ni18  1  0.835  0.165  0.350  1.0
  Ni  Ni19  1  0.000  1.000  0.500  1.0
  B  B20  1  0.667  0.333  0.250  1.0
  B  B21  1  0.000  1.000  0.750  1.0
  B  B22  1  0.333  0.667  0.750  1.0
  B  B23  1  1.000  1.000  0.250  1.0
[/CIF]
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The crystal structure described by Yb3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to one Yb(2), three equivalent Ni(2), and nine equivalent Ni(1) atoms. In the second Yb site, Yb(2) is bonded in a 20-coordinate geometry to two equivalent Yb(1), twelve equivalent Ni(1), three equivalent B(1), and three equivalent B(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted L-shaped geometry to two equivalent Yb(2), three equivalent Yb(1), one Ni(2), one B(1), and one B(2) atom. In the second Ni site, Ni(2) is bonded to six equivalent Yb(1) and six equivalent Ni(1) atoms to form edge-sharing NiYb6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Yb(2) and six equivalent Ni(1) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Yb(2) and six equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Yb3Ni7B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.950
_cell_length_b   4.950
_cell_length_c   13.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   294.483
_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  0.667  0.333  0.535  1.0
  Yb  Yb1  1  0.333  0.667  0.465  1.0
  Yb  Yb2  1  0.333  0.667  0.035  1.0
  Yb  Yb3  1  0.667  0.333  0.750  1.0
  Yb  Yb4  1  0.667  0.333  0.965  1.0
  Yb  Yb5  1  0.333  0.667  0.250  1.0
  Ni  Ni6  1  0.165  0.331  0.650  1.0
  Ni  Ni7  1  0.331  0.165  0.350  1.0
  Ni  Ni8  1  0.331  0.165  0.149  1.0
  Ni  Ni9  1  0.165  0.835  0.851  1.0
  Ni  Ni10  1  0.835  0.669  0.350  1.0
  Ni  Ni11  1  0.835  0.165  0.149  1.0
  Ni  Ni12  1  0.669  0.835  0.650  1.0
  Ni  Ni13  1  0.669  0.835  0.851  1.0
  Ni  Ni14  1  0.165  0.835  0.650  1.0
  Ni  Ni15  1  0.835  0.669  0.149  1.0
  Ni  Ni16  1  0.000  0.000  0.000  1.0
  Ni  Ni17  1  0.165  0.331  0.851  1.0
  Ni  Ni18  1  0.835  0.165  0.350  1.0
  Ni  Ni19  1  0.000  1.000  0.500  1.0
  B  B20  1  0.667  0.333  0.250  1.0
  B  B21  1  0.000  1.000  0.750  1.0
  B  B22  1  0.333  0.667  0.750  1.0
  B  B23  1  1.000  1.000  0.250  1.0
[/CIF]
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