The compound described by YbMn2SbBi crystallizes in the trigonal P3m1 space group. Yb(1) is bonded to three equivalent Bi(1) and three equivalent Sb(1) atoms to form YbBi3Sb3 octahedra that share corners with six equivalent Mn(1)Bi3Sb tetrahedra, corners with six equivalent Mn(2)BiSb3 tetrahedra, edges with six equivalent Yb(1)Bi3Sb3 octahedra, edges with three equivalent Mn(1)Bi3Sb tetrahedra, and edges with three equivalent Mn(2)BiSb3 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Bi(1) and one Sb(1) atom to form MnBi3Sb tetrahedra that share corners with six equivalent Yb(1)Bi3Sb3 octahedra, corners with six equivalent Mn(1)Bi3Sb tetrahedra, edges with three equivalent Yb(1)Bi3Sb3 octahedra, and edges with three equivalent Mn(2)BiSb3 tetrahedra. The corner-sharing octahedral tilt angles range from 15-54°. In the second Mn site, Mn(2) is bonded to one Bi(1) and three equivalent Sb(1) atoms to form distorted MnBiSb3 tetrahedra that share corners with six equivalent Yb(1)Bi3Sb3 octahedra, corners with six equivalent Mn(2)BiSb3 tetrahedra, edges with three equivalent Yb(1)Bi3Sb3 octahedra, and edges with three equivalent Mn(1)Bi3Sb tetrahedra. The corner-sharing octahedral tilt angles range from 15-52°. Bi(1) is bonded to three equivalent Yb(1), one Mn(2), and three equivalent Mn(1) atoms to form distorted BiYb3Mn4 pentagonal bipyramids that share corners with three equivalent Sb(1)Yb3Mn4 pentagonal bipyramids, edges with six equivalent Bi(1)Yb3Mn4 pentagonal bipyramids, and edges with six equivalent Sb(1)Yb3Mn4 pentagonal bipyramids. Sb(1) is bonded to three equivalent Yb(1), one Mn(1), and three equivalent Mn(2) atoms to form distorted SbYb3Mn4 pentagonal bipyramids that share corners with three equivalent Bi(1)Yb3Mn4 pentagonal bipyramids, edges with six equivalent Bi(1)Yb3Mn4 pentagonal bipyramids, and edges with six equivalent Sb(1)Yb3Mn4 pentagonal bipyramids. is represented by the CIF card [CIF]
data_YbMn2BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.484
_cell_length_b   4.484
_cell_length_c   7.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   134.478
_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
  Yb  Yb0  1  0.667  0.333  0.012  1.0
  Mn  Mn1  1  0.000  0.000  0.608  1.0
  Mn  Mn2  1  0.333  0.667  0.377  1.0
  Bi  Bi3  1  0.333  0.667  0.750  1.0
  Sb  Sb4  1  0.000  0.000  0.253  1.0
[/CIF]
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The compound described by YbMn2SbBi crystallizes in the trigonal P3m1 space group. Yb(1) is bonded to three equivalent Bi(1) and three equivalent Sb(1) atoms to form YbBi3Sb3 octahedra that share corners with six equivalent Mn(1)Bi3Sb tetrahedra, corners with six equivalent Mn(2)BiSb3 tetrahedra, edges with six equivalent Yb(1)Bi3Sb3 octahedra, edges with three equivalent Mn(1)Bi3Sb tetrahedra, and edges with three equivalent Mn(2)BiSb3 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Bi(1) and one Sb(1) atom to form MnBi3Sb tetrahedra that share corners with six equivalent Yb(1)Bi3Sb3 octahedra, corners with six equivalent Mn(1)Bi3Sb tetrahedra, edges with three equivalent Yb(1)Bi3Sb3 octahedra, and edges with three equivalent Mn(2)BiSb3 tetrahedra. The corner-sharing octahedral tilt angles range from 15-54°. In the second Mn site, Mn(2) is bonded to one Bi(1) and three equivalent Sb(1) atoms to form distorted MnBiSb3 tetrahedra that share corners with six equivalent Yb(1)Bi3Sb3 octahedra, corners with six equivalent Mn(2)BiSb3 tetrahedra, edges with three equivalent Yb(1)Bi3Sb3 octahedra, and edges with three equivalent Mn(1)Bi3Sb tetrahedra. The corner-sharing octahedral tilt angles range from 15-52°. Bi(1) is bonded to three equivalent Yb(1), one Mn(2), and three equivalent Mn(1) atoms to form distorted BiYb3Mn4 pentagonal bipyramids that share corners with three equivalent Sb(1)Yb3Mn4 pentagonal bipyramids, edges with six equivalent Bi(1)Yb3Mn4 pentagonal bipyramids, and edges with six equivalent Sb(1)Yb3Mn4 pentagonal bipyramids. Sb(1) is bonded to three equivalent Yb(1), one Mn(1), and three equivalent Mn(2) atoms to form distorted SbYb3Mn4 pentagonal bipyramids that share corners with three equivalent Bi(1)Yb3Mn4 pentagonal bipyramids, edges with six equivalent Bi(1)Yb3Mn4 pentagonal bipyramids, and edges with six equivalent Sb(1)Yb3Mn4 pentagonal bipyramids. is represented by the CIF card [CIF]
data_YbMn2BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.484
_cell_length_b   4.484
_cell_length_c   7.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   134.478
_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
  Yb  Yb0  1  0.667  0.333  0.012  1.0
  Mn  Mn1  1  0.000  0.000  0.608  1.0
  Mn  Mn2  1  0.333  0.667  0.377  1.0
  Bi  Bi3  1  0.333  0.667  0.750  1.0
  Sb  Sb4  1  0.000  0.000  0.253  1.0
[/CIF]
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