The structure described by Be5Zr crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 9-coordinate geometry to six equivalent Be(2) and three equivalent Zr(1) atoms. In the second Be site, Be(2) is bonded to four equivalent Be(1), four equivalent Be(2), and four equivalent Zr(1) atoms to form a mixture of corner, edge, and face-sharing BeZr4Be8 cuboctahedra. Zr(1) is bonded in a 18-coordinate geometry to six equivalent Be(1) and twelve equivalent Be(2) atoms. is represented by the CIF card [CIF]
data_ZrBe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.567
_cell_length_b   4.567
_cell_length_c   3.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   62.553
_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  0.000  0.000  0.000  1.0
  Be  Be1  1  0.333  0.667  0.000  1.0
  Be  Be2  1  0.667  0.333  0.000  1.0
  Be  Be3  1  0.500  0.000  0.500  1.0
  Be  Be4  1  0.500  0.500  0.500  1.0
  Be  Be5  1  0.000  0.500  0.500  1.0
[/CIF]
.
The structure described by Be5Zr crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 9-coordinate geometry to six equivalent Be(2) and three equivalent Zr(1) atoms. In the second Be site, Be(2) is bonded to four equivalent Be(1), four equivalent Be(2), and four equivalent Zr(1) atoms to form a mixture of corner, edge, and face-sharing BeZr4Be8 cuboctahedra. Zr(1) is bonded in a 18-coordinate geometry to six equivalent Be(1) and twelve equivalent Be(2) atoms. is represented by the CIF card [CIF]
data_ZrBe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.567
_cell_length_b   4.567
_cell_length_c   3.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   62.553
_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  0.000  0.000  0.000  1.0
  Be  Be1  1  0.333  0.667  0.000  1.0
  Be  Be2  1  0.667  0.333  0.000  1.0
  Be  Be3  1  0.500  0.000  0.500  1.0
  Be  Be4  1  0.500  0.500  0.500  1.0
  Be  Be5  1  0.000  0.500  0.500  1.0
[/CIF]
.