The structure described by Er3Ni13B2 crystallizes in the orthorhombic Cmmm 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(4), eight equivalent Ni(5), and six equivalent B(1) atoms. In the second Er site, Er(2) is bonded in a 18-coordinate geometry to two equivalent Ni(1), two equivalent Ni(4), four equivalent Ni(2), four equivalent Ni(5), and six equivalent Ni(3) atoms. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Er(2), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of edge, face, and corner-sharing NiEr4Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Er(2), two equivalent Ni(1), two equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of edge, face, and corner-sharing NiEr4Ni8 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 12-coordinate geometry to three equivalent Er(2), one Ni(1), one Ni(4), two equivalent Ni(2), two equivalent Ni(5), and three equivalent Ni(3) atoms. In the fourth Ni site, Ni(4) is bonded in a distorted L-shaped geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Ni(3), and two equivalent B(1) atoms. In the fifth Ni site, Ni(5) is bonded in a distorted L-shaped geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Ni(3), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Er(1), two equivalent Ni(4), and four equivalent Ni(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er3Ni13B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.901
_cell_length_b   4.924
_cell_length_c   10.905
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.845
_symmetry_Int_Tables_number   1
_cell_volume   228.235
_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  0.500  0.000  0.000  1.0
  Er  Er1  1  0.500  0.000  0.671  1.0
  Er  Er2  1  0.500  0.000  0.329  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.833  0.667  0.681  1.0
  Ni  Ni7  1  0.167  0.333  0.681  1.0
  Ni  Ni8  1  0.167  0.333  0.319  1.0
  Ni  Ni9  1  0.833  0.667  0.319  1.0
  Ni  Ni10  1  0.000  0.000  0.866  1.0
  Ni  Ni11  1  0.500  0.500  0.866  1.0
  Ni  Ni12  1  0.000  0.500  0.866  1.0
  Ni  Ni13  1  0.000  0.000  0.134  1.0
  Ni  Ni14  1  0.500  0.500  0.134  1.0
  Ni  Ni15  1  0.000  0.500  0.134  1.0
  B  B16  1  0.833  0.667  0.000  1.0
  B  B17  1  0.167  0.333  0.000  1.0
[/CIF]
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The structure described by Er3Ni13B2 crystallizes in the orthorhombic Cmmm 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(4), eight equivalent Ni(5), and six equivalent B(1) atoms. In the second Er site, Er(2) is bonded in a 18-coordinate geometry to two equivalent Ni(1), two equivalent Ni(4), four equivalent Ni(2), four equivalent Ni(5), and six equivalent Ni(3) atoms. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Er(2), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of edge, face, and corner-sharing NiEr4Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Er(2), two equivalent Ni(1), two equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of edge, face, and corner-sharing NiEr4Ni8 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 12-coordinate geometry to three equivalent Er(2), one Ni(1), one Ni(4), two equivalent Ni(2), two equivalent Ni(5), and three equivalent Ni(3) atoms. In the fourth Ni site, Ni(4) is bonded in a distorted L-shaped geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Ni(3), and two equivalent B(1) atoms. In the fifth Ni site, Ni(5) is bonded in a distorted L-shaped geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Ni(3), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Er(1), two equivalent Ni(4), and four equivalent Ni(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er3Ni13B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.901
_cell_length_b   4.924
_cell_length_c   10.905
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.845
_symmetry_Int_Tables_number   1
_cell_volume   228.235
_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  0.500  0.000  0.000  1.0
  Er  Er1  1  0.500  0.000  0.671  1.0
  Er  Er2  1  0.500  0.000  0.329  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.833  0.667  0.681  1.0
  Ni  Ni7  1  0.167  0.333  0.681  1.0
  Ni  Ni8  1  0.167  0.333  0.319  1.0
  Ni  Ni9  1  0.833  0.667  0.319  1.0
  Ni  Ni10  1  0.000  0.000  0.866  1.0
  Ni  Ni11  1  0.500  0.500  0.866  1.0
  Ni  Ni12  1  0.000  0.500  0.866  1.0
  Ni  Ni13  1  0.000  0.000  0.134  1.0
  Ni  Ni14  1  0.500  0.500  0.134  1.0
  Ni  Ni15  1  0.000  0.500  0.134  1.0
  B  B16  1  0.833  0.667  0.000  1.0
  B  B17  1  0.167  0.333  0.000  1.0
[/CIF]
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