The structure described by Er5(SiSb)2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to three equivalent Si(1) and three equivalent Sb(1) atoms to form distorted ErSi3Sb3 pentagonal pyramids that share corners with three equivalent Er(2)Si4Sb2 octahedra, corners with ten equivalent Er(1)Si3Sb3 pentagonal pyramids, edges with seven equivalent Er(1)Si3Sb3 pentagonal pyramids, faces with two equivalent Er(2)Si4Sb2 octahedra, and faces with two equivalent Er(1)Si3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 36-41°. In the second Er site, Er(2) is bonded to four equivalent Si(1) and two equivalent Sb(1) atoms to form ErSi4Sb2 octahedra that share corners with four equivalent Er(2)Si4Sb2 octahedra, corners with twelve equivalent Er(1)Si3Sb3 pentagonal pyramids, and faces with eight equivalent Er(1)Si3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. Si(1) is bonded in a 8-coordinate geometry to two equivalent Er(2) and six equivalent Er(1) atoms. Sb(1) is bonded to one Er(2) and six equivalent Er(1) atoms to form a mixture of distorted corner and edge-sharing SbEr7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Er5(SiSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.405
_cell_length_b   8.405
_cell_length_c   7.787
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.972
_symmetry_Int_Tables_number   1
_cell_volume   450.789
_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
  Er  Er0  1  0.040  0.290  0.335  1.0
  Er  Er1  1  0.960  0.710  0.665  1.0
  Er  Er2  1  0.460  0.210  0.835  1.0
  Er  Er3  1  0.790  0.540  0.165  1.0
  Er  Er4  1  0.540  0.790  0.165  1.0
  Er  Er5  1  0.210  0.460  0.835  1.0
  Er  Er6  1  0.710  0.960  0.665  1.0
  Er  Er7  1  0.290  0.040  0.335  1.0
  Er  Er8  1  0.000  0.000  0.000  1.0
  Er  Er9  1  0.500  0.500  0.500  1.0
  Si  Si10  1  0.366  0.366  0.133  1.0
  Si  Si11  1  0.634  0.634  0.867  1.0
  Si  Si12  1  0.134  0.134  0.633  1.0
  Si  Si13  1  0.866  0.866  0.367  1.0
  Sb  Sb14  1  0.795  0.205  0.000  1.0
  Sb  Sb15  1  0.205  0.795  0.000  1.0
  Sb  Sb16  1  0.705  0.295  0.500  1.0
  Sb  Sb17  1  0.295  0.705  0.500  1.0
[/CIF]
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The structure described by Er5(SiSb)2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to three equivalent Si(1) and three equivalent Sb(1) atoms to form distorted ErSi3Sb3 pentagonal pyramids that share corners with three equivalent Er(2)Si4Sb2 octahedra, corners with ten equivalent Er(1)Si3Sb3 pentagonal pyramids, edges with seven equivalent Er(1)Si3Sb3 pentagonal pyramids, faces with two equivalent Er(2)Si4Sb2 octahedra, and faces with two equivalent Er(1)Si3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 36-41°. In the second Er site, Er(2) is bonded to four equivalent Si(1) and two equivalent Sb(1) atoms to form ErSi4Sb2 octahedra that share corners with four equivalent Er(2)Si4Sb2 octahedra, corners with twelve equivalent Er(1)Si3Sb3 pentagonal pyramids, and faces with eight equivalent Er(1)Si3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. Si(1) is bonded in a 8-coordinate geometry to two equivalent Er(2) and six equivalent Er(1) atoms. Sb(1) is bonded to one Er(2) and six equivalent Er(1) atoms to form a mixture of distorted corner and edge-sharing SbEr7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Er5(SiSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.405
_cell_length_b   8.405
_cell_length_c   7.787
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.972
_symmetry_Int_Tables_number   1
_cell_volume   450.789
_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
  Er  Er0  1  0.040  0.290  0.335  1.0
  Er  Er1  1  0.960  0.710  0.665  1.0
  Er  Er2  1  0.460  0.210  0.835  1.0
  Er  Er3  1  0.790  0.540  0.165  1.0
  Er  Er4  1  0.540  0.790  0.165  1.0
  Er  Er5  1  0.210  0.460  0.835  1.0
  Er  Er6  1  0.710  0.960  0.665  1.0
  Er  Er7  1  0.290  0.040  0.335  1.0
  Er  Er8  1  0.000  0.000  0.000  1.0
  Er  Er9  1  0.500  0.500  0.500  1.0
  Si  Si10  1  0.366  0.366  0.133  1.0
  Si  Si11  1  0.634  0.634  0.867  1.0
  Si  Si12  1  0.134  0.134  0.633  1.0
  Si  Si13  1  0.866  0.866  0.367  1.0
  Sb  Sb14  1  0.795  0.205  0.000  1.0
  Sb  Sb15  1  0.205  0.795  0.000  1.0
  Sb  Sb16  1  0.705  0.295  0.500  1.0
  Sb  Sb17  1  0.295  0.705  0.500  1.0
[/CIF]
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