The compound described by Yb3Ni7B2 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted trigonal planar geometry to three equivalent Yb(3) and three equivalent Ni(3) atoms. In the second Yb site, Yb(2) is bonded in a 18-coordinate geometry to four equivalent Ni(2), eight equivalent Ni(1), three equivalent B(1), and three equivalent B(2) atoms. In the third Yb site, Yb(3) is bonded in a 12-coordinate geometry to three equivalent Yb(1), two equivalent Ni(2), three equivalent Ni(3), and four equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one Yb(3), two equivalent Yb(2), one Ni(3), one B(1), and one B(2) atom. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Yb(3), two equivalent Yb(2), one Ni(3), one B(1), and one B(2) atom. In the third Ni site, Ni(3) is bonded to three equivalent Yb(1), three equivalent Yb(3), two equivalent Ni(2), and four 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), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Yb(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3Ni7B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   5.062
_cell_length_c   7.092
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.874
_symmetry_Int_Tables_number   1
_cell_volume   157.257
_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  1.000  1.000  0.000  1.0
  Yb  Yb1  1  0.000  0.000  0.500  1.0
  Yb  Yb2  1  0.667  0.667  0.000  1.0
  Ni  Ni3  1  0.496  0.007  0.306  1.0
  Ni  Ni4  1  0.007  0.496  0.306  1.0
  Ni  Ni5  1  0.496  0.496  0.306  1.0
  Ni  Ni6  1  0.496  0.007  0.694  1.0
  Ni  Ni7  1  0.007  0.496  0.694  1.0
  Ni  Ni8  1  0.496  0.496  0.694  1.0
  Ni  Ni9  1  0.333  0.333  0.000  1.0
  B  B10  1  0.667  0.667  0.500  1.0
  B  B11  1  0.333  0.334  0.500  1.0
[/CIF]
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The compound described by Yb3Ni7B2 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted trigonal planar geometry to three equivalent Yb(3) and three equivalent Ni(3) atoms. In the second Yb site, Yb(2) is bonded in a 18-coordinate geometry to four equivalent Ni(2), eight equivalent Ni(1), three equivalent B(1), and three equivalent B(2) atoms. In the third Yb site, Yb(3) is bonded in a 12-coordinate geometry to three equivalent Yb(1), two equivalent Ni(2), three equivalent Ni(3), and four equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one Yb(3), two equivalent Yb(2), one Ni(3), one B(1), and one B(2) atom. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Yb(3), two equivalent Yb(2), one Ni(3), one B(1), and one B(2) atom. In the third Ni site, Ni(3) is bonded to three equivalent Yb(1), three equivalent Yb(3), two equivalent Ni(2), and four 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), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Yb(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3Ni7B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   5.062
_cell_length_c   7.092
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.874
_symmetry_Int_Tables_number   1
_cell_volume   157.257
_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  1.000  1.000  0.000  1.0
  Yb  Yb1  1  0.000  0.000  0.500  1.0
  Yb  Yb2  1  0.667  0.667  0.000  1.0
  Ni  Ni3  1  0.496  0.007  0.306  1.0
  Ni  Ni4  1  0.007  0.496  0.306  1.0
  Ni  Ni5  1  0.496  0.496  0.306  1.0
  Ni  Ni6  1  0.496  0.007  0.694  1.0
  Ni  Ni7  1  0.007  0.496  0.694  1.0
  Ni  Ni8  1  0.496  0.496  0.694  1.0
  Ni  Ni9  1  0.333  0.333  0.000  1.0
  B  B10  1  0.667  0.667  0.500  1.0
  B  B11  1  0.333  0.334  0.500  1.0
[/CIF]
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