The material described by ErNi4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 18-coordinate geometry to four equivalent Ni(2), six equivalent Ni(1), and eight equivalent Ni(3) atoms. In the second Er site, Er(2) is bonded in a 14-coordinate geometry to two equivalent Ni(2), four equivalent Ni(3), and eight equivalent Ni(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to three equivalent Er(1), two equivalent Ni(2), three equivalent Ni(1), and four equivalent Ni(3) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Er(1), two equivalent Er(2), two equivalent Ni(1), two equivalent Ni(4), and four equivalent Ni(3) atoms to form a mixture of face, corner, and edge-sharing NiEr4Ni8 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Er(1), two equivalent Er(2), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms to form a mixture of face, corner, and edge-sharing NiEr4Ni8 cuboctahedra. In the fourth Ni site, Ni(4) is bonded in a 12-coordinate geometry to four equivalent Er(2), one Ni(2), two equivalent Ni(3), and five equivalent Ni(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.825
_cell_length_b   4.849
_cell_length_c   10.147
_cell_angle_alpha   85.303
_cell_angle_beta   80.527
_cell_angle_gamma   60.160
_symmetry_Int_Tables_number   1
_cell_volume   203.134
_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  0.000  0.000  0.000  1.0
  Er  Er1  1  0.868  0.000  0.355  1.0
  Er  Er2  1  0.132  0.000  0.645  1.0
  Ni  Ni3  1  0.334  0.333  0.000  1.0
  Ni  Ni4  1  0.666  0.667  0.000  1.0
  Ni  Ni5  1  0.422  0.000  0.200  1.0
  Ni  Ni6  1  0.578  0.000  0.800  1.0
  Ni  Ni7  1  0.928  0.502  0.198  1.0
  Ni  Ni8  1  0.430  0.498  0.198  1.0
  Ni  Ni9  1  0.072  0.498  0.802  1.0
  Ni  Ni10  1  0.570  0.502  0.802  1.0
  Ni  Ni11  1  0.189  0.344  0.405  1.0
  Ni  Ni12  1  0.533  0.656  0.405  1.0
  Ni  Ni13  1  0.811  0.656  0.595  1.0
  Ni  Ni14  1  0.467  0.344  0.595  1.0
[/CIF]
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The material described by ErNi4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 18-coordinate geometry to four equivalent Ni(2), six equivalent Ni(1), and eight equivalent Ni(3) atoms. In the second Er site, Er(2) is bonded in a 14-coordinate geometry to two equivalent Ni(2), four equivalent Ni(3), and eight equivalent Ni(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to three equivalent Er(1), two equivalent Ni(2), three equivalent Ni(1), and four equivalent Ni(3) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Er(1), two equivalent Er(2), two equivalent Ni(1), two equivalent Ni(4), and four equivalent Ni(3) atoms to form a mixture of face, corner, and edge-sharing NiEr4Ni8 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Er(1), two equivalent Er(2), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms to form a mixture of face, corner, and edge-sharing NiEr4Ni8 cuboctahedra. In the fourth Ni site, Ni(4) is bonded in a 12-coordinate geometry to four equivalent Er(2), one Ni(2), two equivalent Ni(3), and five equivalent Ni(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.825
_cell_length_b   4.849
_cell_length_c   10.147
_cell_angle_alpha   85.303
_cell_angle_beta   80.527
_cell_angle_gamma   60.160
_symmetry_Int_Tables_number   1
_cell_volume   203.134
_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  0.000  0.000  0.000  1.0
  Er  Er1  1  0.868  0.000  0.355  1.0
  Er  Er2  1  0.132  0.000  0.645  1.0
  Ni  Ni3  1  0.334  0.333  0.000  1.0
  Ni  Ni4  1  0.666  0.667  0.000  1.0
  Ni  Ni5  1  0.422  0.000  0.200  1.0
  Ni  Ni6  1  0.578  0.000  0.800  1.0
  Ni  Ni7  1  0.928  0.502  0.198  1.0
  Ni  Ni8  1  0.430  0.498  0.198  1.0
  Ni  Ni9  1  0.072  0.498  0.802  1.0
  Ni  Ni10  1  0.570  0.502  0.802  1.0
  Ni  Ni11  1  0.189  0.344  0.405  1.0
  Ni  Ni12  1  0.533  0.656  0.405  1.0
  Ni  Ni13  1  0.811  0.656  0.595  1.0
  Ni  Ni14  1  0.467  0.344  0.595  1.0
[/CIF]
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