The structure described by Tm5(GeSb)2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to three equivalent Ge(1) and three equivalent Sb(1) atoms to form distorted TmGe3Sb3 pentagonal pyramids that share corners with three equivalent Tm(2)Ge4Sb2 octahedra, corners with ten equivalent Tm(1)Ge3Sb3 pentagonal pyramids, edges with seven equivalent Tm(1)Ge3Sb3 pentagonal pyramids, faces with two equivalent Tm(2)Ge4Sb2 octahedra, and faces with two equivalent Tm(1)Ge3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 35-42°. In the second Tm site, Tm(2) is bonded to four equivalent Ge(1) and two equivalent Sb(1) atoms to form TmGe4Sb2 octahedra that share corners with four equivalent Tm(2)Ge4Sb2 octahedra, corners with twelve equivalent Tm(1)Ge3Sb3 pentagonal pyramids, and faces with eight equivalent Tm(1)Ge3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 46°. Ge(1) is bonded in a 8-coordinate geometry to two equivalent Tm(2) and six equivalent Tm(1) atoms. Sb(1) is bonded to one Tm(2) and six equivalent Tm(1) atoms to form a mixture of distorted corner and edge-sharing SbTm7 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Tm5(GeSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.386
_cell_length_b   8.386
_cell_length_c   7.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.533
_symmetry_Int_Tables_number   1
_cell_volume   453.480
_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  0.035  0.286  0.340  1.0
  Tm  Tm1  1  0.965  0.714  0.660  1.0
  Tm  Tm2  1  0.465  0.214  0.840  1.0
  Tm  Tm3  1  0.786  0.535  0.160  1.0
  Tm  Tm4  1  0.535  0.786  0.160  1.0
  Tm  Tm5  1  0.214  0.465  0.840  1.0
  Tm  Tm6  1  0.714  0.965  0.660  1.0
  Tm  Tm7  1  0.286  0.035  0.340  1.0
  Tm  Tm8  1  0.000  0.000  0.000  1.0
  Tm  Tm9  1  0.500  0.500  0.500  1.0
  Ge  Ge10  1  0.356  0.356  0.142  1.0
  Ge  Ge11  1  0.644  0.644  0.858  1.0
  Ge  Ge12  1  0.144  0.144  0.642  1.0
  Ge  Ge13  1  0.856  0.856  0.358  1.0
  Sb  Sb14  1  0.796  0.204  0.000  1.0
  Sb  Sb15  1  0.204  0.796  0.000  1.0
  Sb  Sb16  1  0.704  0.296  0.500  1.0
  Sb  Sb17  1  0.296  0.704  0.500  1.0
[/CIF]
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The structure described by Tm5(GeSb)2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to three equivalent Ge(1) and three equivalent Sb(1) atoms to form distorted TmGe3Sb3 pentagonal pyramids that share corners with three equivalent Tm(2)Ge4Sb2 octahedra, corners with ten equivalent Tm(1)Ge3Sb3 pentagonal pyramids, edges with seven equivalent Tm(1)Ge3Sb3 pentagonal pyramids, faces with two equivalent Tm(2)Ge4Sb2 octahedra, and faces with two equivalent Tm(1)Ge3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 35-42°. In the second Tm site, Tm(2) is bonded to four equivalent Ge(1) and two equivalent Sb(1) atoms to form TmGe4Sb2 octahedra that share corners with four equivalent Tm(2)Ge4Sb2 octahedra, corners with twelve equivalent Tm(1)Ge3Sb3 pentagonal pyramids, and faces with eight equivalent Tm(1)Ge3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 46°. Ge(1) is bonded in a 8-coordinate geometry to two equivalent Tm(2) and six equivalent Tm(1) atoms. Sb(1) is bonded to one Tm(2) and six equivalent Tm(1) atoms to form a mixture of distorted corner and edge-sharing SbTm7 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Tm5(GeSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.386
_cell_length_b   8.386
_cell_length_c   7.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.533
_symmetry_Int_Tables_number   1
_cell_volume   453.480
_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  0.035  0.286  0.340  1.0
  Tm  Tm1  1  0.965  0.714  0.660  1.0
  Tm  Tm2  1  0.465  0.214  0.840  1.0
  Tm  Tm3  1  0.786  0.535  0.160  1.0
  Tm  Tm4  1  0.535  0.786  0.160  1.0
  Tm  Tm5  1  0.214  0.465  0.840  1.0
  Tm  Tm6  1  0.714  0.965  0.660  1.0
  Tm  Tm7  1  0.286  0.035  0.340  1.0
  Tm  Tm8  1  0.000  0.000  0.000  1.0
  Tm  Tm9  1  0.500  0.500  0.500  1.0
  Ge  Ge10  1  0.356  0.356  0.142  1.0
  Ge  Ge11  1  0.644  0.644  0.858  1.0
  Ge  Ge12  1  0.144  0.144  0.642  1.0
  Ge  Ge13  1  0.856  0.856  0.358  1.0
  Sb  Sb14  1  0.796  0.204  0.000  1.0
  Sb  Sb15  1  0.204  0.796  0.000  1.0
  Sb  Sb16  1  0.704  0.296  0.500  1.0
  Sb  Sb17  1  0.296  0.704  0.500  1.0
[/CIF]
.