The crystal structure described by Tm5Pt2Bi 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 Pt(1) and two equivalent Bi(1) atoms to form distorted corner-sharing TmBi2Pt4 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. In the second Tm site, Tm(2) is bonded in a 5-coordinate geometry to three equivalent Pt(1) and two equivalent Bi(1) atoms. Pt(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 10-coordinate geometry to two equivalent Tm(1) and eight equivalent Tm(2) atoms. is represented by the CIF card [CIF]
data_Tm5BiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.696
_cell_length_b   8.696
_cell_length_c   8.696
_cell_angle_alpha   127.827
_cell_angle_beta   127.827
_cell_angle_gamma   76.905
_symmetry_Int_Tables_number   1
_cell_volume   398.278
_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  0.791  0.291  0.810  1.0
  Tm  Tm3  1  0.209  0.709  0.190  1.0
  Tm  Tm4  1  0.481  0.981  0.190  1.0
  Tm  Tm5  1  0.291  0.481  0.500  1.0
  Tm  Tm6  1  0.019  0.209  0.500  1.0
  Tm  Tm7  1  0.519  0.019  0.810  1.0
  Tm  Tm8  1  0.709  0.519  0.500  1.0
  Tm  Tm9  1  0.981  0.791  0.500  1.0
  Bi  Bi10  1  0.250  0.250  0.000  1.0
  Bi  Bi11  1  0.750  0.750  0.000  1.0
  Pt  Pt12  1  0.141  0.641  0.781  1.0
  Pt  Pt13  1  0.859  0.359  0.219  1.0
  Pt  Pt14  1  0.641  0.859  0.500  1.0
  Pt  Pt15  1  0.359  0.141  0.500  1.0
[/CIF]
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The crystal structure described by Tm5Pt2Bi 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 Pt(1) and two equivalent Bi(1) atoms to form distorted corner-sharing TmBi2Pt4 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. In the second Tm site, Tm(2) is bonded in a 5-coordinate geometry to three equivalent Pt(1) and two equivalent Bi(1) atoms. Pt(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 10-coordinate geometry to two equivalent Tm(1) and eight equivalent Tm(2) atoms. is represented by the CIF card [CIF]
data_Tm5BiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.696
_cell_length_b   8.696
_cell_length_c   8.696
_cell_angle_alpha   127.827
_cell_angle_beta   127.827
_cell_angle_gamma   76.905
_symmetry_Int_Tables_number   1
_cell_volume   398.278
_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  0.791  0.291  0.810  1.0
  Tm  Tm3  1  0.209  0.709  0.190  1.0
  Tm  Tm4  1  0.481  0.981  0.190  1.0
  Tm  Tm5  1  0.291  0.481  0.500  1.0
  Tm  Tm6  1  0.019  0.209  0.500  1.0
  Tm  Tm7  1  0.519  0.019  0.810  1.0
  Tm  Tm8  1  0.709  0.519  0.500  1.0
  Tm  Tm9  1  0.981  0.791  0.500  1.0
  Bi  Bi10  1  0.250  0.250  0.000  1.0
  Bi  Bi11  1  0.750  0.750  0.000  1.0
  Pt  Pt12  1  0.141  0.641  0.781  1.0
  Pt  Pt13  1  0.859  0.359  0.219  1.0
  Pt  Pt14  1  0.641  0.859  0.500  1.0
  Pt  Pt15  1  0.359  0.141  0.500  1.0
[/CIF]
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