The structure described by Li3Be is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to eight equivalent Li(1) and four equivalent Be(1) atoms to form distorted LiLi8Be4 cuboctahedra that share corners with four equivalent Be(1)Li12 cuboctahedra, corners with fourteen equivalent Li(1)Li8Be4 cuboctahedra, edges with six equivalent Be(1)Li12 cuboctahedra, edges with twelve equivalent Li(1)Li8Be4 cuboctahedra, faces with four equivalent Be(1)Li12 cuboctahedra, and faces with sixteen equivalent Li(1)Li8Be4 cuboctahedra. Be(1) is bonded to twelve equivalent Li(1) atoms to form BeLi12 cuboctahedra that share corners with six equivalent Be(1)Li12 cuboctahedra, corners with twelve equivalent Li(1)Li8Be4 cuboctahedra, edges with eighteen equivalent Li(1)Li8Be4 cuboctahedra, faces with eight equivalent Be(1)Li12 cuboctahedra, and faces with twelve equivalent Li(1)Li8Be4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.506
_cell_length_b   5.506
_cell_length_c   4.528
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   118.896
_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
  Li  Li0  1  0.174  0.348  0.250  1.0
  Li  Li1  1  0.652  0.826  0.250  1.0
  Li  Li2  1  0.174  0.826  0.250  1.0
  Li  Li3  1  0.826  0.652  0.750  1.0
  Li  Li4  1  0.348  0.174  0.750  1.0
  Li  Li5  1  0.826  0.174  0.750  1.0
  Be  Be6  1  0.333  0.667  0.750  1.0
  Be  Be7  1  0.667  0.333  0.250  1.0
[/CIF]
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The structure described by Li3Be is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to eight equivalent Li(1) and four equivalent Be(1) atoms to form distorted LiLi8Be4 cuboctahedra that share corners with four equivalent Be(1)Li12 cuboctahedra, corners with fourteen equivalent Li(1)Li8Be4 cuboctahedra, edges with six equivalent Be(1)Li12 cuboctahedra, edges with twelve equivalent Li(1)Li8Be4 cuboctahedra, faces with four equivalent Be(1)Li12 cuboctahedra, and faces with sixteen equivalent Li(1)Li8Be4 cuboctahedra. Be(1) is bonded to twelve equivalent Li(1) atoms to form BeLi12 cuboctahedra that share corners with six equivalent Be(1)Li12 cuboctahedra, corners with twelve equivalent Li(1)Li8Be4 cuboctahedra, edges with eighteen equivalent Li(1)Li8Be4 cuboctahedra, faces with eight equivalent Be(1)Li12 cuboctahedra, and faces with twelve equivalent Li(1)Li8Be4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.506
_cell_length_b   5.506
_cell_length_c   4.528
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   118.896
_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
  Li  Li0  1  0.174  0.348  0.250  1.0
  Li  Li1  1  0.652  0.826  0.250  1.0
  Li  Li2  1  0.174  0.826  0.250  1.0
  Li  Li3  1  0.826  0.652  0.750  1.0
  Li  Li4  1  0.348  0.174  0.750  1.0
  Li  Li5  1  0.826  0.174  0.750  1.0
  Be  Be6  1  0.333  0.667  0.750  1.0
  Be  Be7  1  0.667  0.333  0.250  1.0
[/CIF]
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