The crystal structure described by Lu5Ni2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted LuNi4Bi2 octahedra that share corners with six equivalent Lu(1)Ni4Bi2 octahedra, corners with sixteen equivalent Lu(2)Ni3Bi2 square pyramids, and faces with eight equivalent Lu(2)Ni3Bi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-50°. In the second Lu site, Lu(2) is bonded to three equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted LuNi3Bi2 square pyramids that share corners with four equivalent Lu(1)Ni4Bi2 octahedra, corners with twelve equivalent Lu(2)Ni3Bi2 square pyramids, edges with seven equivalent Lu(2)Ni3Bi2 square pyramids, faces with two equivalent Lu(1)Ni4Bi2 octahedra, and  a faceface with one Lu(2)Ni3Bi2 square pyramid. The corner-sharing octahedral tilt angles range from 42-60°. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Lu(1) and six equivalent Lu(2) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent Lu(1) and eight equivalent Lu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu5Ni2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.536
_cell_length_b   8.536
_cell_length_c   8.536
_cell_angle_alpha   128.703
_cell_angle_beta   128.704
_cell_angle_gamma   75.492
_symmetry_Int_Tables_number   1
_cell_volume   368.550
_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
  Lu  Lu0  1  1.000  1.000  1.000  1.0
  Lu  Lu1  1  0.500  0.500  1.000  1.0
  Lu  Lu2  1  0.788  0.288  0.813  1.0
  Lu  Lu3  1  0.212  0.712  0.188  1.0
  Lu  Lu4  1  0.476  0.976  0.188  1.0
  Lu  Lu5  1  0.288  0.476  0.500  1.0
  Lu  Lu6  1  0.024  0.212  0.500  1.0
  Lu  Lu7  1  0.524  0.024  0.813  1.0
  Lu  Lu8  1  0.712  0.524  0.500  1.0
  Lu  Lu9  1  0.976  0.788  0.500  1.0
  Ni  Ni10  1  0.134  0.634  0.768  1.0
  Ni  Ni11  1  0.866  0.366  0.232  1.0
  Ni  Ni12  1  0.634  0.866  0.500  1.0
  Ni  Ni13  1  0.366  0.134  0.500  1.0
  Bi  Bi14  1  0.250  0.250  1.000  1.0
  Bi  Bi15  1  0.750  0.750  1.000  1.0
[/CIF]
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The crystal structure described by Lu5Ni2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted LuNi4Bi2 octahedra that share corners with six equivalent Lu(1)Ni4Bi2 octahedra, corners with sixteen equivalent Lu(2)Ni3Bi2 square pyramids, and faces with eight equivalent Lu(2)Ni3Bi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-50°. In the second Lu site, Lu(2) is bonded to three equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted LuNi3Bi2 square pyramids that share corners with four equivalent Lu(1)Ni4Bi2 octahedra, corners with twelve equivalent Lu(2)Ni3Bi2 square pyramids, edges with seven equivalent Lu(2)Ni3Bi2 square pyramids, faces with two equivalent Lu(1)Ni4Bi2 octahedra, and  a faceface with one Lu(2)Ni3Bi2 square pyramid. The corner-sharing octahedral tilt angles range from 42-60°. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Lu(1) and six equivalent Lu(2) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent Lu(1) and eight equivalent Lu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu5Ni2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.536
_cell_length_b   8.536
_cell_length_c   8.536
_cell_angle_alpha   128.703
_cell_angle_beta   128.704
_cell_angle_gamma   75.492
_symmetry_Int_Tables_number   1
_cell_volume   368.550
_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
  Lu  Lu0  1  1.000  1.000  1.000  1.0
  Lu  Lu1  1  0.500  0.500  1.000  1.0
  Lu  Lu2  1  0.788  0.288  0.813  1.0
  Lu  Lu3  1  0.212  0.712  0.188  1.0
  Lu  Lu4  1  0.476  0.976  0.188  1.0
  Lu  Lu5  1  0.288  0.476  0.500  1.0
  Lu  Lu6  1  0.024  0.212  0.500  1.0
  Lu  Lu7  1  0.524  0.024  0.813  1.0
  Lu  Lu8  1  0.712  0.524  0.500  1.0
  Lu  Lu9  1  0.976  0.788  0.500  1.0
  Ni  Ni10  1  0.134  0.634  0.768  1.0
  Ni  Ni11  1  0.866  0.366  0.232  1.0
  Ni  Ni12  1  0.634  0.866  0.500  1.0
  Ni  Ni13  1  0.366  0.134  0.500  1.0
  Bi  Bi14  1  0.250  0.250  1.000  1.0
  Bi  Bi15  1  0.750  0.750  1.000  1.0
[/CIF]
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