The material described by Er3Ni2 crystallizes in the trigonal R-3 space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in an octahedral geometry to six equivalent Ni(1) atoms. In the second Er site, Er(2) is bonded in a 6-coordinate geometry to six equivalent Ni(1) atoms. In the third Er site, Er(3) is bonded in a 5-coordinate geometry to five equivalent Ni(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to one Er(1), two equivalent Er(2), five equivalent Er(3), and one Ni(1) atom. is represented by the CIF file [CIF]
data_Er3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.105
_cell_length_b   7.105
_cell_length_c   7.105
_cell_angle_alpha   72.723
_cell_angle_beta   72.723
_cell_angle_gamma   72.723
_symmetry_Int_Tables_number   1
_cell_volume   318.394
_cell_formula_units_Z   3
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  0.500  0.500  0.500  1.0
  Er  Er1  1  0.293  0.293  0.293  1.0
  Er  Er2  1  0.707  0.707  0.707  1.0
  Er  Er3  1  0.330  0.836  0.113  1.0
  Er  Er4  1  0.113  0.330  0.836  1.0
  Er  Er5  1  0.836  0.113  0.330  1.0
  Er  Er6  1  0.670  0.164  0.887  1.0
  Er  Er7  1  0.887  0.670  0.164  1.0
  Er  Er8  1  0.164  0.887  0.670  1.0
  Ni  Ni9  1  0.644  0.461  0.086  1.0
  Ni  Ni10  1  0.086  0.644  0.461  1.0
  Ni  Ni11  1  0.461  0.086  0.644  1.0
  Ni  Ni12  1  0.356  0.539  0.914  1.0
  Ni  Ni13  1  0.914  0.356  0.539  1.0
  Ni  Ni14  1  0.539  0.914  0.356  1.0
[/CIF]
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The material described by Er3Ni2 crystallizes in the trigonal R-3 space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in an octahedral geometry to six equivalent Ni(1) atoms. In the second Er site, Er(2) is bonded in a 6-coordinate geometry to six equivalent Ni(1) atoms. In the third Er site, Er(3) is bonded in a 5-coordinate geometry to five equivalent Ni(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to one Er(1), two equivalent Er(2), five equivalent Er(3), and one Ni(1) atom. is represented by the CIF file [CIF]
data_Er3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.105
_cell_length_b   7.105
_cell_length_c   7.105
_cell_angle_alpha   72.723
_cell_angle_beta   72.723
_cell_angle_gamma   72.723
_symmetry_Int_Tables_number   1
_cell_volume   318.394
_cell_formula_units_Z   3
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  0.500  0.500  0.500  1.0
  Er  Er1  1  0.293  0.293  0.293  1.0
  Er  Er2  1  0.707  0.707  0.707  1.0
  Er  Er3  1  0.330  0.836  0.113  1.0
  Er  Er4  1  0.113  0.330  0.836  1.0
  Er  Er5  1  0.836  0.113  0.330  1.0
  Er  Er6  1  0.670  0.164  0.887  1.0
  Er  Er7  1  0.887  0.670  0.164  1.0
  Er  Er8  1  0.164  0.887  0.670  1.0
  Ni  Ni9  1  0.644  0.461  0.086  1.0
  Ni  Ni10  1  0.086  0.644  0.461  1.0
  Ni  Ni11  1  0.461  0.086  0.644  1.0
  Ni  Ni12  1  0.356  0.539  0.914  1.0
  Ni  Ni13  1  0.914  0.356  0.539  1.0
  Ni  Ni14  1  0.539  0.914  0.356  1.0
[/CIF]
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