The material described by Be15(Nb3Ni4)2 crystallizes in the cubic Fm-3m space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded in a 12-coordinate geometry to three equivalent Be(1), three equivalent Be(2), three equivalent Nb(1), and three equivalent Ni(1) atoms. In the second Be site, Be(2) is bonded to four equivalent Be(1), four equivalent Nb(1), and four equivalent Ni(1) atoms to form a mixture of distorted corner and face-sharing BeBe4Nb4Ni4 cuboctahedra. In the third Be site, Be(3) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Be(1), four equivalent Be(2), four equivalent Nb(1), and four equivalent Ni(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to one Be(3), three equivalent Be(1), three equivalent Be(2), and three equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_Be15(Nb3Ni4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.552
_cell_length_b   7.552
_cell_length_c   7.552
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   304.590
_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  0.326  0.326  0.326  1.0
  Be  Be1  1  0.674  0.674  0.674  1.0
  Be  Be2  1  0.326  0.326  0.022  1.0
  Be  Be3  1  0.326  0.022  0.326  1.0
  Be  Be4  1  0.674  0.674  0.978  1.0
  Be  Be5  1  0.674  0.978  0.674  1.0
  Be  Be6  1  0.022  0.326  0.326  1.0
  Be  Be7  1  0.978  0.674  0.674  1.0
  Be  Be8  1  0.500  0.000  0.000  1.0
  Be  Be9  1  1.000  0.500  0.500  1.0
  Be  Be10  1  1.000  0.500  1.000  1.0
  Be  Be11  1  0.500  1.000  0.500  1.0
  Be  Be12  1  0.000  0.000  0.500  1.0
  Be  Be13  1  0.500  0.500  1.000  1.0
  Be  Be14  1  0.000  0.000  1.000  1.0
  Nb  Nb15  1  0.703  0.297  0.297  1.0
  Nb  Nb16  1  0.297  0.703  0.703  1.0
  Nb  Nb17  1  0.297  0.703  0.297  1.0
  Nb  Nb18  1  0.703  0.297  0.703  1.0
  Nb  Nb19  1  0.297  0.297  0.703  1.0
  Nb  Nb20  1  0.703  0.703  0.297  1.0
  Ni  Ni21  1  0.122  0.122  0.122  1.0
  Ni  Ni22  1  0.878  0.878  0.878  1.0
  Ni  Ni23  1  0.122  0.122  0.633  1.0
  Ni  Ni24  1  0.122  0.633  0.122  1.0
  Ni  Ni25  1  0.878  0.878  0.367  1.0
  Ni  Ni26  1  0.878  0.367  0.878  1.0
  Ni  Ni27  1  0.633  0.122  0.122  1.0
  Ni  Ni28  1  0.367  0.878  0.878  1.0
[/CIF]
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The material described by Be15(Nb3Ni4)2 crystallizes in the cubic Fm-3m space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded in a 12-coordinate geometry to three equivalent Be(1), three equivalent Be(2), three equivalent Nb(1), and three equivalent Ni(1) atoms. In the second Be site, Be(2) is bonded to four equivalent Be(1), four equivalent Nb(1), and four equivalent Ni(1) atoms to form a mixture of distorted corner and face-sharing BeBe4Nb4Ni4 cuboctahedra. In the third Be site, Be(3) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Be(1), four equivalent Be(2), four equivalent Nb(1), and four equivalent Ni(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to one Be(3), three equivalent Be(1), three equivalent Be(2), and three equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_Be15(Nb3Ni4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.552
_cell_length_b   7.552
_cell_length_c   7.552
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   304.590
_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  0.326  0.326  0.326  1.0
  Be  Be1  1  0.674  0.674  0.674  1.0
  Be  Be2  1  0.326  0.326  0.022  1.0
  Be  Be3  1  0.326  0.022  0.326  1.0
  Be  Be4  1  0.674  0.674  0.978  1.0
  Be  Be5  1  0.674  0.978  0.674  1.0
  Be  Be6  1  0.022  0.326  0.326  1.0
  Be  Be7  1  0.978  0.674  0.674  1.0
  Be  Be8  1  0.500  0.000  0.000  1.0
  Be  Be9  1  1.000  0.500  0.500  1.0
  Be  Be10  1  1.000  0.500  1.000  1.0
  Be  Be11  1  0.500  1.000  0.500  1.0
  Be  Be12  1  0.000  0.000  0.500  1.0
  Be  Be13  1  0.500  0.500  1.000  1.0
  Be  Be14  1  0.000  0.000  1.000  1.0
  Nb  Nb15  1  0.703  0.297  0.297  1.0
  Nb  Nb16  1  0.297  0.703  0.703  1.0
  Nb  Nb17  1  0.297  0.703  0.297  1.0
  Nb  Nb18  1  0.703  0.297  0.703  1.0
  Nb  Nb19  1  0.297  0.297  0.703  1.0
  Nb  Nb20  1  0.703  0.703  0.297  1.0
  Ni  Ni21  1  0.122  0.122  0.122  1.0
  Ni  Ni22  1  0.878  0.878  0.878  1.0
  Ni  Ni23  1  0.122  0.122  0.633  1.0
  Ni  Ni24  1  0.122  0.633  0.122  1.0
  Ni  Ni25  1  0.878  0.878  0.367  1.0
  Ni  Ni26  1  0.878  0.367  0.878  1.0
  Ni  Ni27  1  0.633  0.122  0.122  1.0
  Ni  Ni28  1  0.367  0.878  0.878  1.0
[/CIF]
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