The crystal structure described by Y5Pt2Bi 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 Pt(1) and two equivalent Bi(1) atoms to form distorted corner-sharing YBi2Pt4 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the second Y site, Y(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 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 Crystallographic Information File (CIF) [CIF]
data_Y5BiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.838
_cell_length_b   8.838
_cell_length_c   8.838
_cell_angle_alpha   127.572
_cell_angle_beta   127.572
_cell_angle_gamma   77.319
_symmetry_Int_Tables_number   1
_cell_volume   420.777
_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  0.792  0.292  0.812  1.0
  Y  Y3  1  0.208  0.708  0.188  1.0
  Y  Y4  1  0.480  0.980  0.188  1.0
  Y  Y5  1  0.292  0.480  0.500  1.0
  Y  Y6  1  0.020  0.208  0.500  1.0
  Y  Y7  1  0.520  0.020  0.812  1.0
  Y  Y8  1  0.708  0.520  0.500  1.0
  Y  Y9  1  0.980  0.792  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  0.139  0.639  0.779  1.0
  Pt  Pt13  1  0.861  0.361  0.221  1.0
  Pt  Pt14  1  0.639  0.861  0.500  1.0
  Pt  Pt15  1  0.361  0.139  0.500  1.0
[/CIF]
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The crystal structure described by Y5Pt2Bi 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 Pt(1) and two equivalent Bi(1) atoms to form distorted corner-sharing YBi2Pt4 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the second Y site, Y(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 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 Crystallographic Information File (CIF) [CIF]
data_Y5BiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.838
_cell_length_b   8.838
_cell_length_c   8.838
_cell_angle_alpha   127.572
_cell_angle_beta   127.572
_cell_angle_gamma   77.319
_symmetry_Int_Tables_number   1
_cell_volume   420.777
_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  0.792  0.292  0.812  1.0
  Y  Y3  1  0.208  0.708  0.188  1.0
  Y  Y4  1  0.480  0.980  0.188  1.0
  Y  Y5  1  0.292  0.480  0.500  1.0
  Y  Y6  1  0.020  0.208  0.500  1.0
  Y  Y7  1  0.520  0.020  0.812  1.0
  Y  Y8  1  0.708  0.520  0.500  1.0
  Y  Y9  1  0.980  0.792  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  0.139  0.639  0.779  1.0
  Pt  Pt13  1  0.861  0.361  0.221  1.0
  Pt  Pt14  1  0.639  0.861  0.500  1.0
  Pt  Pt15  1  0.361  0.139  0.500  1.0
[/CIF]
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