The material described by ErNi5 crystallizes in the hexagonal P6/mmm space group. Er(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(2) and twelve equivalent Ni(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Er(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiEr4Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Er(1) and six equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.803
_cell_length_b   4.803
_cell_length_c   3.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   78.103
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.333  0.667  0.000  1.0
  Ni  Ni3  1  0.667  0.333  0.000  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by ErNi5 crystallizes in the hexagonal P6/mmm space group. Er(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(2) and twelve equivalent Ni(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Er(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiEr4Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Er(1) and six equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.803
_cell_length_b   4.803
_cell_length_c   3.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   78.103
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.333  0.667  0.000  1.0
  Ni  Ni3  1  0.667  0.333  0.000  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
[/CIF]
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