The material described by BaBe13 crystallizes in the cubic Fm-3c space group. Ba(1) is bonded in a 24-coordinate geometry to twenty-four equivalent Be(1) atoms. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to two equivalent Ba(1), one Be(2), and nine equivalent Be(1) atoms to form BeBa2Be10 cuboctahedra that share  a cornercorner with one Be(2)Be12 cuboctahedra, corners with twenty-seven equivalent Be(1)Ba2Be10 cuboctahedra, edges with eight equivalent Be(1)Ba2Be10 cuboctahedra, faces with two equivalent Be(2)Be12 cuboctahedra, and faces with twenty-three equivalent Be(1)Ba2Be10 cuboctahedra. In the second Be site, Be(2) is bonded to twelve equivalent Be(1) atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. is represented by the CIF card [CIF]
data_BaBe13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.527
_cell_length_b   7.527
_cell_length_c   7.527
_cell_angle_alpha   59.999
_cell_angle_beta   59.999
_cell_angle_gamma   59.998
_symmetry_Int_Tables_number   1
_cell_volume   301.535
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  Be  Be2  1  0.933  0.281  0.719  1.0
  Be  Be3  1  0.719  0.067  0.933  1.0
  Be  Be4  1  0.000  0.000  0.000  1.0
  Be  Be5  1  0.500  0.500  0.500  1.0
  Be  Be6  1  0.281  0.933  0.067  1.0
  Be  Be7  1  0.567  0.433  0.781  1.0
  Be  Be8  1  0.782  0.218  0.567  1.0
  Be  Be9  1  0.567  0.781  0.219  1.0
  Be  Be10  1  0.433  0.219  0.781  1.0
  Be  Be11  1  0.433  0.781  0.567  1.0
  Be  Be12  1  0.781  0.433  0.219  1.0
  Be  Be13  1  0.067  0.281  0.933  1.0
  Be  Be14  1  0.933  0.067  0.281  1.0
  Be  Be15  1  0.718  0.282  0.067  1.0
  Be  Be16  1  0.933  0.719  0.067  1.0
  Be  Be17  1  0.719  0.933  0.281  1.0
  Be  Be18  1  0.067  0.933  0.719  1.0
  Be  Be19  1  0.281  0.067  0.719  1.0
  Be  Be20  1  0.282  0.718  0.933  1.0
  Be  Be21  1  0.781  0.567  0.433  1.0
  Be  Be22  1  0.218  0.782  0.433  1.0
  Be  Be23  1  0.219  0.567  0.781  1.0
  Be  Be24  1  0.567  0.219  0.433  1.0
  Be  Be25  1  0.433  0.567  0.219  1.0
  Be  Be26  1  0.219  0.433  0.567  1.0
  Be  Be27  1  0.067  0.719  0.281  1.0
[/CIF]
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The material described by BaBe13 crystallizes in the cubic Fm-3c space group. Ba(1) is bonded in a 24-coordinate geometry to twenty-four equivalent Be(1) atoms. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to two equivalent Ba(1), one Be(2), and nine equivalent Be(1) atoms to form BeBa2Be10 cuboctahedra that share  a cornercorner with one Be(2)Be12 cuboctahedra, corners with twenty-seven equivalent Be(1)Ba2Be10 cuboctahedra, edges with eight equivalent Be(1)Ba2Be10 cuboctahedra, faces with two equivalent Be(2)Be12 cuboctahedra, and faces with twenty-three equivalent Be(1)Ba2Be10 cuboctahedra. In the second Be site, Be(2) is bonded to twelve equivalent Be(1) atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. is represented by the CIF card [CIF]
data_BaBe13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.527
_cell_length_b   7.527
_cell_length_c   7.527
_cell_angle_alpha   59.999
_cell_angle_beta   59.999
_cell_angle_gamma   59.998
_symmetry_Int_Tables_number   1
_cell_volume   301.535
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  Be  Be2  1  0.933  0.281  0.719  1.0
  Be  Be3  1  0.719  0.067  0.933  1.0
  Be  Be4  1  0.000  0.000  0.000  1.0
  Be  Be5  1  0.500  0.500  0.500  1.0
  Be  Be6  1  0.281  0.933  0.067  1.0
  Be  Be7  1  0.567  0.433  0.781  1.0
  Be  Be8  1  0.782  0.218  0.567  1.0
  Be  Be9  1  0.567  0.781  0.219  1.0
  Be  Be10  1  0.433  0.219  0.781  1.0
  Be  Be11  1  0.433  0.781  0.567  1.0
  Be  Be12  1  0.781  0.433  0.219  1.0
  Be  Be13  1  0.067  0.281  0.933  1.0
  Be  Be14  1  0.933  0.067  0.281  1.0
  Be  Be15  1  0.718  0.282  0.067  1.0
  Be  Be16  1  0.933  0.719  0.067  1.0
  Be  Be17  1  0.719  0.933  0.281  1.0
  Be  Be18  1  0.067  0.933  0.719  1.0
  Be  Be19  1  0.281  0.067  0.719  1.0
  Be  Be20  1  0.282  0.718  0.933  1.0
  Be  Be21  1  0.781  0.567  0.433  1.0
  Be  Be22  1  0.218  0.782  0.433  1.0
  Be  Be23  1  0.219  0.567  0.781  1.0
  Be  Be24  1  0.567  0.219  0.433  1.0
  Be  Be25  1  0.433  0.567  0.219  1.0
  Be  Be26  1  0.219  0.433  0.567  1.0
  Be  Be27  1  0.067  0.719  0.281  1.0
[/CIF]
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