The material described by Dy5(GeSb)2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to three equivalent Ge(1) and three equivalent Sb(1) atoms to form distorted DyGe3Sb3 pentagonal pyramids that share corners with three equivalent Dy(2)Ge4Sb2 octahedra, corners with ten equivalent Dy(1)Ge3Sb3 pentagonal pyramids, edges with seven equivalent Dy(1)Ge3Sb3 pentagonal pyramids, faces with two equivalent Dy(2)Ge4Sb2 octahedra, and faces with two equivalent Dy(1)Ge3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 35-42°. In the second Dy site, Dy(2) is bonded to four equivalent Ge(1) and two equivalent Sb(1) atoms to form DyGe4Sb2 octahedra that share corners with four equivalent Dy(2)Ge4Sb2 octahedra, corners with twelve equivalent Dy(1)Ge3Sb3 pentagonal pyramids, and faces with eight equivalent Dy(1)Ge3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 47°. Ge(1) is bonded in a 8-coordinate geometry to two equivalent Dy(2) and six equivalent Dy(1) atoms. Sb(1) is bonded to one Dy(2) and six equivalent Dy(1) atoms to form a mixture of distorted edge and corner-sharing SbDy7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Dy5(GeSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.510
_cell_length_b   8.510
_cell_length_c   7.928
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.627
_symmetry_Int_Tables_number   1
_cell_volume   472.417
_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
  Dy  Dy0  1  0.036  0.289  0.338  1.0
  Dy  Dy1  1  0.964  0.711  0.662  1.0
  Dy  Dy2  1  0.464  0.211  0.838  1.0
  Dy  Dy3  1  0.789  0.536  0.162  1.0
  Dy  Dy4  1  0.536  0.789  0.162  1.0
  Dy  Dy5  1  0.211  0.464  0.838  1.0
  Dy  Dy6  1  0.711  0.964  0.662  1.0
  Dy  Dy7  1  0.289  0.036  0.338  1.0
  Dy  Dy8  1  0.000  0.000  0.000  1.0
  Dy  Dy9  1  0.500  0.500  0.500  1.0
  Ge  Ge10  1  0.358  0.358  0.141  1.0
  Ge  Ge11  1  0.642  0.642  0.859  1.0
  Ge  Ge12  1  0.142  0.142  0.641  1.0
  Ge  Ge13  1  0.858  0.858  0.359  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 material described by Dy5(GeSb)2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to three equivalent Ge(1) and three equivalent Sb(1) atoms to form distorted DyGe3Sb3 pentagonal pyramids that share corners with three equivalent Dy(2)Ge4Sb2 octahedra, corners with ten equivalent Dy(1)Ge3Sb3 pentagonal pyramids, edges with seven equivalent Dy(1)Ge3Sb3 pentagonal pyramids, faces with two equivalent Dy(2)Ge4Sb2 octahedra, and faces with two equivalent Dy(1)Ge3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 35-42°. In the second Dy site, Dy(2) is bonded to four equivalent Ge(1) and two equivalent Sb(1) atoms to form DyGe4Sb2 octahedra that share corners with four equivalent Dy(2)Ge4Sb2 octahedra, corners with twelve equivalent Dy(1)Ge3Sb3 pentagonal pyramids, and faces with eight equivalent Dy(1)Ge3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 47°. Ge(1) is bonded in a 8-coordinate geometry to two equivalent Dy(2) and six equivalent Dy(1) atoms. Sb(1) is bonded to one Dy(2) and six equivalent Dy(1) atoms to form a mixture of distorted edge and corner-sharing SbDy7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Dy5(GeSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.510
_cell_length_b   8.510
_cell_length_c   7.928
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.627
_symmetry_Int_Tables_number   1
_cell_volume   472.417
_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
  Dy  Dy0  1  0.036  0.289  0.338  1.0
  Dy  Dy1  1  0.964  0.711  0.662  1.0
  Dy  Dy2  1  0.464  0.211  0.838  1.0
  Dy  Dy3  1  0.789  0.536  0.162  1.0
  Dy  Dy4  1  0.536  0.789  0.162  1.0
  Dy  Dy5  1  0.211  0.464  0.838  1.0
  Dy  Dy6  1  0.711  0.964  0.662  1.0
  Dy  Dy7  1  0.289  0.036  0.338  1.0
  Dy  Dy8  1  0.000  0.000  0.000  1.0
  Dy  Dy9  1  0.500  0.500  0.500  1.0
  Ge  Ge10  1  0.358  0.358  0.141  1.0
  Ge  Ge11  1  0.642  0.642  0.859  1.0
  Ge  Ge12  1  0.142  0.142  0.641  1.0
  Ge  Ge13  1  0.858  0.858  0.359  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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