The crystal structure described by ErNi3Ga2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2), six equivalent Ni(1), three equivalent Ga(2), and six equivalent Ga(1) atoms. In the second Er site, Er(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ga(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Er(2), two equivalent Er(1), one Ni(1), two equivalent Ni(2), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Er(1), two equivalent Er(2), four equivalent Ni(1), two equivalent Ga(1), and two equivalent Ga(2) atoms to form a mixture of distorted face and corner-sharing NiEr4Ga4Ni4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to four equivalent Er(1), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the second Ga site, Ga(2) is bonded in a 6-coordinate geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_ErGa2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.668
_cell_length_b   8.668
_cell_length_c   4.017
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   261.342
_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  0.667  0.333  0.500  1.0
  Er  Er1  1  0.333  0.667  0.500  1.0
  Er  Er2  1  1.000  1.000  0.000  1.0
  Ga  Ga3  1  0.479  0.479  1.000  1.0
  Ga  Ga4  1  0.521  0.000  1.000  1.0
  Ga  Ga5  1  0.000  0.521  1.000  1.0
  Ga  Ga6  1  0.729  0.729  0.500  1.0
  Ga  Ga7  1  0.271  1.000  0.500  1.0
  Ga  Ga8  1  0.000  0.271  0.500  1.0
  Ni  Ni9  1  0.827  0.201  1.000  1.0
  Ni  Ni10  1  0.799  0.626  0.000  1.0
  Ni  Ni11  1  0.374  0.173  0.000  1.0
  Ni  Ni12  1  0.201  0.827  0.000  1.0
  Ni  Ni13  1  0.626  0.799  0.000  1.0
  Ni  Ni14  1  0.173  0.374  1.000  1.0
  Ni  Ni15  1  0.292  0.292  0.500  1.0
  Ni  Ni16  1  0.708  1.000  0.500  1.0
  Ni  Ni17  1  0.000  0.708  0.500  1.0
[/CIF]
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The crystal structure described by ErNi3Ga2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2), six equivalent Ni(1), three equivalent Ga(2), and six equivalent Ga(1) atoms. In the second Er site, Er(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ga(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Er(2), two equivalent Er(1), one Ni(1), two equivalent Ni(2), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Er(1), two equivalent Er(2), four equivalent Ni(1), two equivalent Ga(1), and two equivalent Ga(2) atoms to form a mixture of distorted face and corner-sharing NiEr4Ga4Ni4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to four equivalent Er(1), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the second Ga site, Ga(2) is bonded in a 6-coordinate geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_ErGa2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.668
_cell_length_b   8.668
_cell_length_c   4.017
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   261.342
_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  0.667  0.333  0.500  1.0
  Er  Er1  1  0.333  0.667  0.500  1.0
  Er  Er2  1  1.000  1.000  0.000  1.0
  Ga  Ga3  1  0.479  0.479  1.000  1.0
  Ga  Ga4  1  0.521  0.000  1.000  1.0
  Ga  Ga5  1  0.000  0.521  1.000  1.0
  Ga  Ga6  1  0.729  0.729  0.500  1.0
  Ga  Ga7  1  0.271  1.000  0.500  1.0
  Ga  Ga8  1  0.000  0.271  0.500  1.0
  Ni  Ni9  1  0.827  0.201  1.000  1.0
  Ni  Ni10  1  0.799  0.626  0.000  1.0
  Ni  Ni11  1  0.374  0.173  0.000  1.0
  Ni  Ni12  1  0.201  0.827  0.000  1.0
  Ni  Ni13  1  0.626  0.799  0.000  1.0
  Ni  Ni14  1  0.173  0.374  1.000  1.0
  Ni  Ni15  1  0.292  0.292  0.500  1.0
  Ni  Ni16  1  0.708  1.000  0.500  1.0
  Ni  Ni17  1  0.000  0.708  0.500  1.0
[/CIF]
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