The compound described by Be15Zr6Ni8 crystallizes in the cubic Fm-3m space group. There are three inequivalent Be sites. In the first Be site, Be(2) is bonded to four equivalent Be(1), four equivalent Zr(1), and four equivalent Ni(1) atoms to form a mixture of distorted face and corner-sharing BeZr4Be4Ni4 cuboctahedra. In the second Be site, Be(3) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms. In the third Be site, Be(1) is bonded in a distorted q6 geometry to three equivalent Be(1), three equivalent Be(2), three equivalent Zr(1), and three equivalent Ni(1) atoms. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Be(1), four equivalent Be(2), 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 Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr6Be15Ni8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.791
_cell_length_b   7.791
_cell_length_c   7.791
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   334.421
_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
  Zr  Zr0  1  0.713  0.287  0.287  1.0
  Zr  Zr1  1  0.287  0.713  0.713  1.0
  Zr  Zr2  1  0.287  0.713  0.287  1.0
  Zr  Zr3  1  0.713  0.287  0.713  1.0
  Zr  Zr4  1  0.287  0.287  0.713  1.0
  Zr  Zr5  1  0.713  0.713  0.287  1.0
  Be  Be6  1  0.322  0.322  0.323  1.0
  Be  Be7  1  0.678  0.678  0.678  1.0
  Be  Be8  1  0.322  0.322  0.033  1.0
  Be  Be9  1  0.322  0.033  0.322  1.0
  Be  Be10  1  0.678  0.678  0.967  1.0
  Be  Be11  1  0.678  0.967  0.678  1.0
  Be  Be12  1  0.033  0.322  0.322  1.0
  Be  Be13  1  0.967  0.678  0.678  1.0
  Be  Be14  1  0.500  1.000  0.000  1.0
  Be  Be15  1  0.000  0.500  0.500  1.0
  Be  Be16  1  1.000  0.500  0.000  1.0
  Be  Be17  1  0.500  0.000  0.500  1.0
  Be  Be18  1  1.000  0.000  0.500  1.0
  Be  Be19  1  0.500  0.500  0.000  1.0
  Be  Be20  1  1.000  1.000  1.000  1.0
  Ni  Ni21  1  0.124  0.124  0.124  1.0
  Ni  Ni22  1  0.876  0.876  0.876  1.0
  Ni  Ni23  1  0.124  0.124  0.627  1.0
  Ni  Ni24  1  0.124  0.627  0.124  1.0
  Ni  Ni25  1  0.876  0.876  0.373  1.0
  Ni  Ni26  1  0.876  0.373  0.876  1.0
  Ni  Ni27  1  0.627  0.124  0.124  1.0
  Ni  Ni28  1  0.373  0.876  0.876  1.0
[/CIF]
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The compound described by Be15Zr6Ni8 crystallizes in the cubic Fm-3m space group. There are three inequivalent Be sites. In the first Be site, Be(2) is bonded to four equivalent Be(1), four equivalent Zr(1), and four equivalent Ni(1) atoms to form a mixture of distorted face and corner-sharing BeZr4Be4Ni4 cuboctahedra. In the second Be site, Be(3) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms. In the third Be site, Be(1) is bonded in a distorted q6 geometry to three equivalent Be(1), three equivalent Be(2), three equivalent Zr(1), and three equivalent Ni(1) atoms. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Be(1), four equivalent Be(2), 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 Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr6Be15Ni8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.791
_cell_length_b   7.791
_cell_length_c   7.791
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   334.421
_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
  Zr  Zr0  1  0.713  0.287  0.287  1.0
  Zr  Zr1  1  0.287  0.713  0.713  1.0
  Zr  Zr2  1  0.287  0.713  0.287  1.0
  Zr  Zr3  1  0.713  0.287  0.713  1.0
  Zr  Zr4  1  0.287  0.287  0.713  1.0
  Zr  Zr5  1  0.713  0.713  0.287  1.0
  Be  Be6  1  0.322  0.322  0.323  1.0
  Be  Be7  1  0.678  0.678  0.678  1.0
  Be  Be8  1  0.322  0.322  0.033  1.0
  Be  Be9  1  0.322  0.033  0.322  1.0
  Be  Be10  1  0.678  0.678  0.967  1.0
  Be  Be11  1  0.678  0.967  0.678  1.0
  Be  Be12  1  0.033  0.322  0.322  1.0
  Be  Be13  1  0.967  0.678  0.678  1.0
  Be  Be14  1  0.500  1.000  0.000  1.0
  Be  Be15  1  0.000  0.500  0.500  1.0
  Be  Be16  1  1.000  0.500  0.000  1.0
  Be  Be17  1  0.500  0.000  0.500  1.0
  Be  Be18  1  1.000  0.000  0.500  1.0
  Be  Be19  1  0.500  0.500  0.000  1.0
  Be  Be20  1  1.000  1.000  1.000  1.0
  Ni  Ni21  1  0.124  0.124  0.124  1.0
  Ni  Ni22  1  0.876  0.876  0.876  1.0
  Ni  Ni23  1  0.124  0.124  0.627  1.0
  Ni  Ni24  1  0.124  0.627  0.124  1.0
  Ni  Ni25  1  0.876  0.876  0.373  1.0
  Ni  Ni26  1  0.876  0.373  0.876  1.0
  Ni  Ni27  1  0.627  0.124  0.124  1.0
  Ni  Ni28  1  0.373  0.876  0.876  1.0
[/CIF]
.