The material structure described by Er2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. Er(1) is bonded in a 18-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), four equivalent B(1), and eight equivalent B(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Er(1), two equivalent Ni(2), two equivalent B(1), and four equivalent B(2) atoms to form distorted NiEr4Ni2B6 cuboctahedra that share corners with four equivalent Ni(2)Er4Ni4B4 cuboctahedra, corners with six equivalent Ni(1)Er4Ni2B6 cuboctahedra, edges with three equivalent Ni(1)Er4Ni2B6 cuboctahedra, faces with two equivalent Ni(2)Er4Ni4B4 cuboctahedra, and faces with three equivalent Ni(1)Er4Ni2B6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Er(1), four equivalent Ni(1), and four equivalent B(2) atoms to form distorted NiEr4Ni4B4 cuboctahedra that share corners with eight equivalent Ni(1)Er4Ni2B6 cuboctahedra, faces with two equivalent Ni(2)Er4Ni4B4 cuboctahedra, and faces with four equivalent Ni(1)Er4Ni2B6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Er(1), two equivalent Ni(1), one B(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Er(1), one Ni(2), two equivalent Ni(1), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2(NiB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.434
_cell_length_b   5.749
_cell_length_c   5.749
_cell_angle_alpha   96.599
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.731
_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  1.000  0.725  0.275  1.0
  Er  Er1  1  0.000  0.275  0.725  1.0
  Ni  Ni2  1  1.000  0.773  0.773  1.0
  Ni  Ni3  1  0.000  0.227  0.227  1.0
  Ni  Ni4  1  0.500  1.000  0.000  1.0
  B  B5  1  0.500  0.387  0.387  1.0
  B  B6  1  0.500  0.613  0.613  1.0
  B  B7  1  0.500  0.384  0.084  1.0
  B  B8  1  0.500  0.616  0.916  1.0
  B  B9  1  0.500  0.084  0.384  1.0
  B  B10  1  0.500  0.916  0.616  1.0
[/CIF]
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The material structure described by Er2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. Er(1) is bonded in a 18-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), four equivalent B(1), and eight equivalent B(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Er(1), two equivalent Ni(2), two equivalent B(1), and four equivalent B(2) atoms to form distorted NiEr4Ni2B6 cuboctahedra that share corners with four equivalent Ni(2)Er4Ni4B4 cuboctahedra, corners with six equivalent Ni(1)Er4Ni2B6 cuboctahedra, edges with three equivalent Ni(1)Er4Ni2B6 cuboctahedra, faces with two equivalent Ni(2)Er4Ni4B4 cuboctahedra, and faces with three equivalent Ni(1)Er4Ni2B6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Er(1), four equivalent Ni(1), and four equivalent B(2) atoms to form distorted NiEr4Ni4B4 cuboctahedra that share corners with eight equivalent Ni(1)Er4Ni2B6 cuboctahedra, faces with two equivalent Ni(2)Er4Ni4B4 cuboctahedra, and faces with four equivalent Ni(1)Er4Ni2B6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Er(1), two equivalent Ni(1), one B(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Er(1), one Ni(2), two equivalent Ni(1), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2(NiB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.434
_cell_length_b   5.749
_cell_length_c   5.749
_cell_angle_alpha   96.599
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.731
_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  1.000  0.725  0.275  1.0
  Er  Er1  1  0.000  0.275  0.725  1.0
  Ni  Ni2  1  1.000  0.773  0.773  1.0
  Ni  Ni3  1  0.000  0.227  0.227  1.0
  Ni  Ni4  1  0.500  1.000  0.000  1.0
  B  B5  1  0.500  0.387  0.387  1.0
  B  B6  1  0.500  0.613  0.613  1.0
  B  B7  1  0.500  0.384  0.084  1.0
  B  B8  1  0.500  0.616  0.916  1.0
  B  B9  1  0.500  0.084  0.384  1.0
  B  B10  1  0.500  0.916  0.616  1.0
[/CIF]
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