The material structure described by Tm5Ni2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted TmNi4Bi2 octahedra that share corners with six equivalent Tm(1)Ni4Bi2 octahedra, corners with sixteen equivalent Tm(2)Ni3Bi2 square pyramids, and faces with eight equivalent Tm(2)Ni3Bi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-50°. In the second Tm site, Tm(2) is bonded to three equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted TmNi3Bi2 square pyramids that share corners with four equivalent Tm(1)Ni4Bi2 octahedra, corners with twelve equivalent Tm(2)Ni3Bi2 square pyramids, edges with seven equivalent Tm(2)Ni3Bi2 square pyramids, faces with two equivalent Tm(1)Ni4Bi2 octahedra, and  a faceface with one Tm(2)Ni3Bi2 square pyramid. The corner-sharing octahedral tilt angles range from 42-61°. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Tm(1) and six equivalent Tm(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Tm(1) and eight equivalent Tm(2) atoms. is represented by the CIF card [CIF]
data_Tm5Ni2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.549
_cell_length_b   8.549
_cell_length_c   8.549
_cell_angle_alpha   127.829
_cell_angle_beta   127.829
_cell_angle_gamma   76.907
_symmetry_Int_Tables_number   1
_cell_volume   378.438
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Tm  Tm1  1  0.500  0.500  0.000  1.0
  Tm  Tm2  1  0.788  0.288  0.812  1.0
  Tm  Tm3  1  0.212  0.712  0.188  1.0
  Tm  Tm4  1  0.477  0.977  0.188  1.0
  Tm  Tm5  1  0.288  0.477  0.500  1.0
  Tm  Tm6  1  0.023  0.212  0.500  1.0
  Tm  Tm7  1  0.523  0.023  0.812  1.0
  Tm  Tm8  1  0.712  0.523  0.500  1.0
  Tm  Tm9  1  0.977  0.788  0.500  1.0
  Ni  Ni10  1  0.133  0.633  0.766  1.0
  Ni  Ni11  1  0.867  0.367  0.234  1.0
  Ni  Ni12  1  0.633  0.867  0.500  1.0
  Ni  Ni13  1  0.367  0.133  0.500  1.0
  Bi  Bi14  1  0.250  0.250  0.000  1.0
  Bi  Bi15  1  0.750  0.750  0.000  1.0
[/CIF]
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The material structure described by Tm5Ni2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted TmNi4Bi2 octahedra that share corners with six equivalent Tm(1)Ni4Bi2 octahedra, corners with sixteen equivalent Tm(2)Ni3Bi2 square pyramids, and faces with eight equivalent Tm(2)Ni3Bi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-50°. In the second Tm site, Tm(2) is bonded to three equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted TmNi3Bi2 square pyramids that share corners with four equivalent Tm(1)Ni4Bi2 octahedra, corners with twelve equivalent Tm(2)Ni3Bi2 square pyramids, edges with seven equivalent Tm(2)Ni3Bi2 square pyramids, faces with two equivalent Tm(1)Ni4Bi2 octahedra, and  a faceface with one Tm(2)Ni3Bi2 square pyramid. The corner-sharing octahedral tilt angles range from 42-61°. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Tm(1) and six equivalent Tm(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Tm(1) and eight equivalent Tm(2) atoms. is represented by the CIF card [CIF]
data_Tm5Ni2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.549
_cell_length_b   8.549
_cell_length_c   8.549
_cell_angle_alpha   127.829
_cell_angle_beta   127.829
_cell_angle_gamma   76.907
_symmetry_Int_Tables_number   1
_cell_volume   378.438
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Tm  Tm1  1  0.500  0.500  0.000  1.0
  Tm  Tm2  1  0.788  0.288  0.812  1.0
  Tm  Tm3  1  0.212  0.712  0.188  1.0
  Tm  Tm4  1  0.477  0.977  0.188  1.0
  Tm  Tm5  1  0.288  0.477  0.500  1.0
  Tm  Tm6  1  0.023  0.212  0.500  1.0
  Tm  Tm7  1  0.523  0.023  0.812  1.0
  Tm  Tm8  1  0.712  0.523  0.500  1.0
  Tm  Tm9  1  0.977  0.788  0.500  1.0
  Ni  Ni10  1  0.133  0.633  0.766  1.0
  Ni  Ni11  1  0.867  0.367  0.234  1.0
  Ni  Ni12  1  0.633  0.867  0.500  1.0
  Ni  Ni13  1  0.367  0.133  0.500  1.0
  Bi  Bi14  1  0.250  0.250  0.000  1.0
  Bi  Bi15  1  0.750  0.750  0.000  1.0
[/CIF]
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