The material described by Er5Ni2Sb crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Ni(1) and two equivalent Sb(1) atoms to form distorted ErNi4Sb2 octahedra that share corners with six equivalent Er(1)Ni4Sb2 octahedra, corners with sixteen equivalent Er(2)Ni3Sb2 trigonal bipyramids, and faces with eight equivalent Er(2)Ni3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-51°. In the second Er site, Er(2) is bonded to three equivalent Ni(1) and two equivalent Sb(1) atoms to form distorted ErNi3Sb2 trigonal bipyramids that share corners with four equivalent Er(1)Ni4Sb2 octahedra, corners with twelve equivalent Er(2)Ni3Sb2 trigonal bipyramids, edges with seven equivalent Er(2)Ni3Sb2 trigonal bipyramids, faces with two equivalent Er(1)Ni4Sb2 octahedra, and  a faceface with one Er(2)Ni3Sb2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-62°. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Er(1) and six equivalent Er(2) atoms. Sb(1) is bonded in a distorted q6 geometry to two equivalent Er(1) and eight equivalent Er(2) atoms. is represented by the CIF file [CIF]
data_Er5Ni2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.469
_cell_length_b   8.469
_cell_length_c   8.469
_cell_angle_alpha   127.282
_cell_angle_beta   127.282
_cell_angle_gamma   77.794
_symmetry_Int_Tables_number   1
_cell_volume   372.772
_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  0.000  1.000  1.000  1.0
  Er  Er1  1  0.500  0.500  1.000  1.0
  Er  Er2  1  0.792  0.292  0.813  1.0
  Er  Er3  1  0.208  0.708  0.187  1.0
  Er  Er4  1  0.479  0.979  0.187  1.0
  Er  Er5  1  0.292  0.479  0.500  1.0
  Er  Er6  1  0.021  0.208  0.500  1.0
  Er  Er7  1  0.521  0.021  0.813  1.0
  Er  Er8  1  0.708  0.521  0.500  1.0
  Er  Er9  1  0.979  0.792  0.500  1.0
  Ni  Ni10  1  0.131  0.631  0.762  1.0
  Ni  Ni11  1  0.869  0.369  0.238  1.0
  Ni  Ni12  1  0.631  0.869  0.500  1.0
  Ni  Ni13  1  0.369  0.131  0.500  1.0
  Sb  Sb14  1  0.250  0.250  1.000  1.0
  Sb  Sb15  1  0.750  0.750  0.000  1.0
[/CIF]
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The material described by Er5Ni2Sb crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Ni(1) and two equivalent Sb(1) atoms to form distorted ErNi4Sb2 octahedra that share corners with six equivalent Er(1)Ni4Sb2 octahedra, corners with sixteen equivalent Er(2)Ni3Sb2 trigonal bipyramids, and faces with eight equivalent Er(2)Ni3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-51°. In the second Er site, Er(2) is bonded to three equivalent Ni(1) and two equivalent Sb(1) atoms to form distorted ErNi3Sb2 trigonal bipyramids that share corners with four equivalent Er(1)Ni4Sb2 octahedra, corners with twelve equivalent Er(2)Ni3Sb2 trigonal bipyramids, edges with seven equivalent Er(2)Ni3Sb2 trigonal bipyramids, faces with two equivalent Er(1)Ni4Sb2 octahedra, and  a faceface with one Er(2)Ni3Sb2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-62°. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Er(1) and six equivalent Er(2) atoms. Sb(1) is bonded in a distorted q6 geometry to two equivalent Er(1) and eight equivalent Er(2) atoms. is represented by the CIF file [CIF]
data_Er5Ni2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.469
_cell_length_b   8.469
_cell_length_c   8.469
_cell_angle_alpha   127.282
_cell_angle_beta   127.282
_cell_angle_gamma   77.794
_symmetry_Int_Tables_number   1
_cell_volume   372.772
_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  0.000  1.000  1.000  1.0
  Er  Er1  1  0.500  0.500  1.000  1.0
  Er  Er2  1  0.792  0.292  0.813  1.0
  Er  Er3  1  0.208  0.708  0.187  1.0
  Er  Er4  1  0.479  0.979  0.187  1.0
  Er  Er5  1  0.292  0.479  0.500  1.0
  Er  Er6  1  0.021  0.208  0.500  1.0
  Er  Er7  1  0.521  0.021  0.813  1.0
  Er  Er8  1  0.708  0.521  0.500  1.0
  Er  Er9  1  0.979  0.792  0.500  1.0
  Ni  Ni10  1  0.131  0.631  0.762  1.0
  Ni  Ni11  1  0.869  0.369  0.238  1.0
  Ni  Ni12  1  0.631  0.869  0.500  1.0
  Ni  Ni13  1  0.369  0.131  0.500  1.0
  Sb  Sb14  1  0.250  0.250  1.000  1.0
  Sb  Sb15  1  0.750  0.750  0.000  1.0
[/CIF]
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