The compound described by Er2Pt6B crystallizes in the tetragonal P4/mmm space group. Er(1) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Pt(3) atoms to form ErPt12 cuboctahedra that share corners with twelve equivalent Er(1)Pt12 cuboctahedra, faces with six equivalent Er(1)Pt12 cuboctahedra, and faces with four equivalent B(1)Pt6 octahedra. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to four equivalent Er(1) and one B(1) atom. In the second Pt site, Pt(2) is bonded to four equivalent Er(1) and two equivalent B(1) atoms to form a mixture of distorted edge, corner, and face-sharing PtEr4B2 octahedra. The corner-sharing octahedra are not tilted. In the third Pt site, Pt(3) is bonded in a distorted square co-planar geometry to four equivalent Er(1) atoms. B(1) is bonded to two equivalent Pt(1) and four equivalent Pt(2) atoms to form BPt6 octahedra that share corners with four equivalent B(1)Pt6 octahedra and faces with eight equivalent Er(1)Pt12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2BPt6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.277
_cell_length_b   4.277
_cell_length_c   7.976
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   145.902
_cell_formula_units_Z   1
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
  Er  Er0  1  0.000  0.000  0.991  1.0
  Er  Er1  1  0.000  0.000  0.509  1.0
  B  B2  1  0.500  0.500  0.250  1.0
  Pt  Pt3  1  0.500  0.500  0.987  1.0
  Pt  Pt4  1  0.500  0.500  0.513  1.0
  Pt  Pt5  1  0.500  0.000  0.250  1.0
  Pt  Pt6  1  0.500  0.000  0.750  1.0
  Pt  Pt7  1  0.000  0.500  0.250  1.0
  Pt  Pt8  1  0.000  0.500  0.750  1.0
[/CIF]
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The compound described by Er2Pt6B crystallizes in the tetragonal P4/mmm space group. Er(1) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Pt(3) atoms to form ErPt12 cuboctahedra that share corners with twelve equivalent Er(1)Pt12 cuboctahedra, faces with six equivalent Er(1)Pt12 cuboctahedra, and faces with four equivalent B(1)Pt6 octahedra. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to four equivalent Er(1) and one B(1) atom. In the second Pt site, Pt(2) is bonded to four equivalent Er(1) and two equivalent B(1) atoms to form a mixture of distorted edge, corner, and face-sharing PtEr4B2 octahedra. The corner-sharing octahedra are not tilted. In the third Pt site, Pt(3) is bonded in a distorted square co-planar geometry to four equivalent Er(1) atoms. B(1) is bonded to two equivalent Pt(1) and four equivalent Pt(2) atoms to form BPt6 octahedra that share corners with four equivalent B(1)Pt6 octahedra and faces with eight equivalent Er(1)Pt12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2BPt6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.277
_cell_length_b   4.277
_cell_length_c   7.976
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   145.902
_cell_formula_units_Z   1
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
  Er  Er0  1  0.000  0.000  0.991  1.0
  Er  Er1  1  0.000  0.000  0.509  1.0
  B  B2  1  0.500  0.500  0.250  1.0
  Pt  Pt3  1  0.500  0.500  0.987  1.0
  Pt  Pt4  1  0.500  0.500  0.513  1.0
  Pt  Pt5  1  0.500  0.000  0.250  1.0
  Pt  Pt6  1  0.500  0.000  0.750  1.0
  Pt  Pt7  1  0.000  0.500  0.250  1.0
  Pt  Pt8  1  0.000  0.500  0.750  1.0
[/CIF]
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