The compound described by Be3Ni is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to four equivalent Be(1), four equivalent Be(2), and four equivalent Ni(1) atoms to form BeBe8Ni4 cuboctahedra that share corners with twelve equivalent Be(1)Be8Ni4 cuboctahedra, edges with eight equivalent Be(1)Be8Ni4 cuboctahedra, edges with eight equivalent Ni(1)Be12 cuboctahedra, faces with four equivalent Ni(1)Be12 cuboctahedra, and faces with ten equivalent Be(1)Be8Ni4 cuboctahedra. In the second Be site, Be(2) is bonded in a distorted square co-planar geometry to eight equivalent Be(1) and four equivalent Ni(1) atoms. Ni(1) is bonded to four equivalent Be(2) and eight equivalent Be(1) atoms to form NiBe12 cuboctahedra that share corners with four equivalent Ni(1)Be12 cuboctahedra, edges with eight equivalent Ni(1)Be12 cuboctahedra, edges with sixteen equivalent Be(1)Be8Ni4 cuboctahedra, faces with four equivalent Ni(1)Be12 cuboctahedra, and faces with eight equivalent Be(1)Be8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_Be3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.064
_cell_length_b   4.064
_cell_length_c   4.064
_cell_angle_alpha   134.564
_cell_angle_beta   134.564
_cell_angle_gamma   66.208
_symmetry_Int_Tables_number   1
_cell_volume   33.549
_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
  Be  Be0  1  0.750  0.250  0.500  1.0
  Be  Be1  1  0.250  0.750  0.500  1.0
  Be  Be2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Be3Ni is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to four equivalent Be(1), four equivalent Be(2), and four equivalent Ni(1) atoms to form BeBe8Ni4 cuboctahedra that share corners with twelve equivalent Be(1)Be8Ni4 cuboctahedra, edges with eight equivalent Be(1)Be8Ni4 cuboctahedra, edges with eight equivalent Ni(1)Be12 cuboctahedra, faces with four equivalent Ni(1)Be12 cuboctahedra, and faces with ten equivalent Be(1)Be8Ni4 cuboctahedra. In the second Be site, Be(2) is bonded in a distorted square co-planar geometry to eight equivalent Be(1) and four equivalent Ni(1) atoms. Ni(1) is bonded to four equivalent Be(2) and eight equivalent Be(1) atoms to form NiBe12 cuboctahedra that share corners with four equivalent Ni(1)Be12 cuboctahedra, edges with eight equivalent Ni(1)Be12 cuboctahedra, edges with sixteen equivalent Be(1)Be8Ni4 cuboctahedra, faces with four equivalent Ni(1)Be12 cuboctahedra, and faces with eight equivalent Be(1)Be8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_Be3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.064
_cell_length_b   4.064
_cell_length_c   4.064
_cell_angle_alpha   134.564
_cell_angle_beta   134.564
_cell_angle_gamma   66.208
_symmetry_Int_Tables_number   1
_cell_volume   33.549
_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
  Be  Be0  1  0.750  0.250  0.500  1.0
  Be  Be1  1  0.250  0.750  0.500  1.0
  Be  Be2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
[/CIF]
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