The crystal structure described by Y5Ni2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted YNi4Bi2 octahedra that share corners with six equivalent Y(1)Ni4Bi2 octahedra, corners with sixteen equivalent Y(2)Ni3Bi2 trigonal bipyramids, and faces with eight equivalent Y(2)Ni3Bi2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-51°. In the second Y site, Y(2) is bonded to three equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted YNi3Bi2 trigonal bipyramids that share corners with four equivalent Y(1)Ni4Bi2 octahedra, corners with twelve equivalent Y(2)Ni3Bi2 trigonal bipyramids, edges with seven equivalent Y(2)Ni3Bi2 trigonal bipyramids, faces with two equivalent Y(1)Ni4Bi2 octahedra, and  a faceface with one Y(2)Ni3Bi2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-62°. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Y(1) and six equivalent Y(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Y(1) and eight equivalent Y(2) atoms. is represented by the CIF file [CIF]
data_Y5Ni2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.738
_cell_length_b   8.738
_cell_length_c   8.738
_cell_angle_alpha   127.617
_cell_angle_beta   127.617
_cell_angle_gamma   77.247
_symmetry_Int_Tables_number   1
_cell_volume   406.168
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  Y  Y2  1  0.019  0.519  0.810  1.0
  Y  Y3  1  0.709  0.209  0.190  1.0
  Y  Y4  1  0.519  0.709  0.500  1.0
  Y  Y5  1  0.209  0.019  0.500  1.0
  Y  Y6  1  0.981  0.481  0.190  1.0
  Y  Y7  1  0.291  0.791  0.810  1.0
  Y  Y8  1  0.481  0.291  0.500  1.0
  Y  Y9  1  0.791  0.981  0.500  1.0
  Ni  Ni10  1  0.368  0.868  0.236  1.0
  Ni  Ni11  1  0.632  0.132  0.764  1.0
  Ni  Ni12  1  0.868  0.632  0.500  1.0
  Ni  Ni13  1  0.132  0.368  0.500  1.0
  Bi  Bi14  1  0.750  0.750  0.000  1.0
  Bi  Bi15  1  0.250  0.250  0.000  1.0
[/CIF]
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The crystal structure described by Y5Ni2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted YNi4Bi2 octahedra that share corners with six equivalent Y(1)Ni4Bi2 octahedra, corners with sixteen equivalent Y(2)Ni3Bi2 trigonal bipyramids, and faces with eight equivalent Y(2)Ni3Bi2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-51°. In the second Y site, Y(2) is bonded to three equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted YNi3Bi2 trigonal bipyramids that share corners with four equivalent Y(1)Ni4Bi2 octahedra, corners with twelve equivalent Y(2)Ni3Bi2 trigonal bipyramids, edges with seven equivalent Y(2)Ni3Bi2 trigonal bipyramids, faces with two equivalent Y(1)Ni4Bi2 octahedra, and  a faceface with one Y(2)Ni3Bi2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-62°. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Y(1) and six equivalent Y(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Y(1) and eight equivalent Y(2) atoms. is represented by the CIF file [CIF]
data_Y5Ni2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.738
_cell_length_b   8.738
_cell_length_c   8.738
_cell_angle_alpha   127.617
_cell_angle_beta   127.617
_cell_angle_gamma   77.247
_symmetry_Int_Tables_number   1
_cell_volume   406.168
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  Y  Y2  1  0.019  0.519  0.810  1.0
  Y  Y3  1  0.709  0.209  0.190  1.0
  Y  Y4  1  0.519  0.709  0.500  1.0
  Y  Y5  1  0.209  0.019  0.500  1.0
  Y  Y6  1  0.981  0.481  0.190  1.0
  Y  Y7  1  0.291  0.791  0.810  1.0
  Y  Y8  1  0.481  0.291  0.500  1.0
  Y  Y9  1  0.791  0.981  0.500  1.0
  Ni  Ni10  1  0.368  0.868  0.236  1.0
  Ni  Ni11  1  0.632  0.132  0.764  1.0
  Ni  Ni12  1  0.868  0.632  0.500  1.0
  Ni  Ni13  1  0.132  0.368  0.500  1.0
  Bi  Bi14  1  0.750  0.750  0.000  1.0
  Bi  Bi15  1  0.250  0.250  0.000  1.0
[/CIF]
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