The structure described by Be13Zr crystallizes in the cubic Fm-3c space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to twelve equivalent Be(2) atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. In the second Be site, Be(2) is bonded to one Be(1), nine equivalent Be(2), and two equivalent Zr(1) atoms to form distorted BeZr2Be10 cuboctahedra that share  a cornercorner with one Be(1)Be12 cuboctahedra, corners with twenty-seven equivalent Be(2)Zr2Be10 cuboctahedra, edges with eight equivalent Be(2)Zr2Be10 cuboctahedra, faces with two equivalent Be(1)Be12 cuboctahedra, and faces with twenty-three equivalent Be(2)Zr2Be10 cuboctahedra. Zr(1) is bonded in a 24-coordinate geometry to twenty-four equivalent Be(2) atoms. is represented by the CIF card [CIF]
data_ZrBe13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.076
_cell_length_b   7.076
_cell_length_c   7.075
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   250.471
_cell_formula_units_Z   2
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  0.250  0.250  0.250  1.0
  Zr  Zr1  1  0.750  0.750  0.750  1.0
  Be  Be2  1  0.000  0.000  0.000  1.0
  Be  Be3  1  0.500  0.500  0.500  1.0
  Be  Be4  1  0.294  0.062  0.938  1.0
  Be  Be5  1  0.438  0.562  0.794  1.0
  Be  Be6  1  0.794  0.206  0.438  1.0
  Be  Be7  1  0.438  0.794  0.206  1.0
  Be  Be8  1  0.562  0.206  0.794  1.0
  Be  Be9  1  0.562  0.794  0.438  1.0
  Be  Be10  1  0.794  0.562  0.206  1.0
  Be  Be11  1  0.938  0.294  0.062  1.0
  Be  Be12  1  0.062  0.938  0.294  1.0
  Be  Be13  1  0.706  0.294  0.938  1.0
  Be  Be14  1  0.062  0.706  0.938  1.0
  Be  Be15  1  0.706  0.062  0.294  1.0
  Be  Be16  1  0.938  0.062  0.706  1.0
  Be  Be17  1  0.294  0.938  0.706  1.0
  Be  Be18  1  0.294  0.706  0.062  1.0
  Be  Be19  1  0.794  0.438  0.562  1.0
  Be  Be20  1  0.206  0.794  0.562  1.0
  Be  Be21  1  0.206  0.438  0.794  1.0
  Be  Be22  1  0.438  0.206  0.562  1.0
  Be  Be23  1  0.562  0.438  0.206  1.0
  Be  Be24  1  0.206  0.562  0.438  1.0
  Be  Be25  1  0.938  0.706  0.294  1.0
  Be  Be26  1  0.706  0.938  0.062  1.0
  Be  Be27  1  0.062  0.294  0.706  1.0
[/CIF]
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The structure described by Be13Zr crystallizes in the cubic Fm-3c space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to twelve equivalent Be(2) atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. In the second Be site, Be(2) is bonded to one Be(1), nine equivalent Be(2), and two equivalent Zr(1) atoms to form distorted BeZr2Be10 cuboctahedra that share  a cornercorner with one Be(1)Be12 cuboctahedra, corners with twenty-seven equivalent Be(2)Zr2Be10 cuboctahedra, edges with eight equivalent Be(2)Zr2Be10 cuboctahedra, faces with two equivalent Be(1)Be12 cuboctahedra, and faces with twenty-three equivalent Be(2)Zr2Be10 cuboctahedra. Zr(1) is bonded in a 24-coordinate geometry to twenty-four equivalent Be(2) atoms. is represented by the CIF card [CIF]
data_ZrBe13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.076
_cell_length_b   7.076
_cell_length_c   7.075
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   250.471
_cell_formula_units_Z   2
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  0.250  0.250  0.250  1.0
  Zr  Zr1  1  0.750  0.750  0.750  1.0
  Be  Be2  1  0.000  0.000  0.000  1.0
  Be  Be3  1  0.500  0.500  0.500  1.0
  Be  Be4  1  0.294  0.062  0.938  1.0
  Be  Be5  1  0.438  0.562  0.794  1.0
  Be  Be6  1  0.794  0.206  0.438  1.0
  Be  Be7  1  0.438  0.794  0.206  1.0
  Be  Be8  1  0.562  0.206  0.794  1.0
  Be  Be9  1  0.562  0.794  0.438  1.0
  Be  Be10  1  0.794  0.562  0.206  1.0
  Be  Be11  1  0.938  0.294  0.062  1.0
  Be  Be12  1  0.062  0.938  0.294  1.0
  Be  Be13  1  0.706  0.294  0.938  1.0
  Be  Be14  1  0.062  0.706  0.938  1.0
  Be  Be15  1  0.706  0.062  0.294  1.0
  Be  Be16  1  0.938  0.062  0.706  1.0
  Be  Be17  1  0.294  0.938  0.706  1.0
  Be  Be18  1  0.294  0.706  0.062  1.0
  Be  Be19  1  0.794  0.438  0.562  1.0
  Be  Be20  1  0.206  0.794  0.562  1.0
  Be  Be21  1  0.206  0.438  0.794  1.0
  Be  Be22  1  0.438  0.206  0.562  1.0
  Be  Be23  1  0.562  0.438  0.206  1.0
  Be  Be24  1  0.206  0.562  0.438  1.0
  Be  Be25  1  0.938  0.706  0.294  1.0
  Be  Be26  1  0.706  0.938  0.062  1.0
  Be  Be27  1  0.062  0.294  0.706  1.0
[/CIF]
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