The compound described by YbNi3 crystallizes in the trigonal R-3m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to three equivalent Ni(3) and nine equivalent Ni(1) atoms. In the second Yb site, Yb(2) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(2) and twelve equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Yb(2), three equivalent Yb(1), one Ni(3), two equivalent Ni(2), and four equivalent Ni(1) atoms to form distorted NiYb5Ni7 cuboctahedra that share corners with two equivalent Ni(3)Yb6Ni6 cuboctahedra, corners with fifteen equivalent Ni(1)Yb5Ni7 cuboctahedra, edges with eight equivalent Ni(1)Yb5Ni7 cuboctahedra, faces with three equivalent Ni(3)Yb6Ni6 cuboctahedra, and faces with eleven equivalent Ni(1)Yb5Ni7 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Yb(2) and six equivalent Ni(1) atoms. In the third Ni site, Ni(3) is bonded to six equivalent Yb(1) and six equivalent Ni(1) atoms to form NiYb6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Yb5Ni7 cuboctahedra, edges with six equivalent Ni(3)Yb6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Yb5Ni7 cuboctahedra. is represented by the CIF card [CIF]
data_YbNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.810
_cell_length_b   4.810
_cell_length_c   8.375
_cell_angle_alpha   73.352
_cell_angle_beta   73.353
_cell_angle_gamma   59.972
_symmetry_Int_Tables_number   1
_cell_volume   158.311
_cell_formula_units_Z   3
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  0.140  0.140  0.580  1.0
  Yb  Yb1  1  0.860  0.860  0.420  1.0
  Yb  Yb2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.082  0.583  0.753  1.0
  Ni  Ni4  1  0.582  0.582  0.754  1.0
  Ni  Ni5  1  0.583  0.082  0.753  1.0
  Ni  Ni6  1  0.918  0.417  0.247  1.0
  Ni  Ni7  1  0.418  0.418  0.246  1.0
  Ni  Ni8  1  0.417  0.918  0.247  1.0
  Ni  Ni9  1  0.332  0.332  0.002  1.0
  Ni  Ni10  1  0.668  0.668  0.998  1.0
  Ni  Ni11  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by YbNi3 crystallizes in the trigonal R-3m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to three equivalent Ni(3) and nine equivalent Ni(1) atoms. In the second Yb site, Yb(2) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(2) and twelve equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Yb(2), three equivalent Yb(1), one Ni(3), two equivalent Ni(2), and four equivalent Ni(1) atoms to form distorted NiYb5Ni7 cuboctahedra that share corners with two equivalent Ni(3)Yb6Ni6 cuboctahedra, corners with fifteen equivalent Ni(1)Yb5Ni7 cuboctahedra, edges with eight equivalent Ni(1)Yb5Ni7 cuboctahedra, faces with three equivalent Ni(3)Yb6Ni6 cuboctahedra, and faces with eleven equivalent Ni(1)Yb5Ni7 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Yb(2) and six equivalent Ni(1) atoms. In the third Ni site, Ni(3) is bonded to six equivalent Yb(1) and six equivalent Ni(1) atoms to form NiYb6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Yb5Ni7 cuboctahedra, edges with six equivalent Ni(3)Yb6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Yb5Ni7 cuboctahedra. is represented by the CIF card [CIF]
data_YbNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.810
_cell_length_b   4.810
_cell_length_c   8.375
_cell_angle_alpha   73.352
_cell_angle_beta   73.353
_cell_angle_gamma   59.972
_symmetry_Int_Tables_number   1
_cell_volume   158.311
_cell_formula_units_Z   3
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  0.140  0.140  0.580  1.0
  Yb  Yb1  1  0.860  0.860  0.420  1.0
  Yb  Yb2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.082  0.583  0.753  1.0
  Ni  Ni4  1  0.582  0.582  0.754  1.0
  Ni  Ni5  1  0.583  0.082  0.753  1.0
  Ni  Ni6  1  0.918  0.417  0.247  1.0
  Ni  Ni7  1  0.418  0.418  0.246  1.0
  Ni  Ni8  1  0.417  0.918  0.247  1.0
  Ni  Ni9  1  0.332  0.332  0.002  1.0
  Ni  Ni10  1  0.668  0.668  0.998  1.0
  Ni  Ni11  1  0.500  0.500  0.500  1.0
[/CIF]
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