The compound described by LiBeBO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with five equivalent Be(1)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. Be(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form BeO4 tetrahedra that share corners with five equivalent Li(1)O4 tetrahedra and  an edgeedge with one Be(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Be(1), and one B(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Be(1), and one B(1) atom to form distorted OLi2BeB tetrahedra that share corners with five equivalent O(3)LiBe2B tetrahedra and  an edgeedge with one O(2)Li2BeB tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Be(1), and one B(1) atom to form distorted OLiBe2B tetrahedra that share corners with five equivalent O(2)Li2BeB tetrahedra and  an edgeedge with one O(3)LiBe2B tetrahedra. is represented by the CIF file [CIF]
data_LiBeBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.638
_cell_length_b   4.707
_cell_length_c   6.007
_cell_angle_alpha   68.028
_cell_angle_beta   72.604
_cell_angle_gamma   61.152
_symmetry_Int_Tables_number   1
_cell_volume   105.365
_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  0.744  0.133  0.662  1.0
  Li  Li1  1  0.256  0.867  0.338  1.0
  Be  Be2  1  0.356  0.726  0.846  1.0
  Be  Be3  1  0.644  0.274  0.154  1.0
  B  B4  1  0.071  0.401  0.772  1.0
  B  B5  1  0.929  0.599  0.228  1.0
  O  O6  1  0.328  0.098  0.761  1.0
  O  O7  1  0.672  0.902  0.239  1.0
  O  O8  1  0.127  0.687  0.709  1.0
  O  O9  1  0.873  0.313  0.291  1.0
  O  O10  1  0.743  0.422  0.846  1.0
  O  O11  1  0.257  0.578  0.154  1.0
[/CIF]
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The compound described by LiBeBO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with five equivalent Be(1)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. Be(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form BeO4 tetrahedra that share corners with five equivalent Li(1)O4 tetrahedra and  an edgeedge with one Be(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Be(1), and one B(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Be(1), and one B(1) atom to form distorted OLi2BeB tetrahedra that share corners with five equivalent O(3)LiBe2B tetrahedra and  an edgeedge with one O(2)Li2BeB tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Be(1), and one B(1) atom to form distorted OLiBe2B tetrahedra that share corners with five equivalent O(2)Li2BeB tetrahedra and  an edgeedge with one O(3)LiBe2B tetrahedra. is represented by the CIF file [CIF]
data_LiBeBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.638
_cell_length_b   4.707
_cell_length_c   6.007
_cell_angle_alpha   68.028
_cell_angle_beta   72.604
_cell_angle_gamma   61.152
_symmetry_Int_Tables_number   1
_cell_volume   105.365
_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  0.744  0.133  0.662  1.0
  Li  Li1  1  0.256  0.867  0.338  1.0
  Be  Be2  1  0.356  0.726  0.846  1.0
  Be  Be3  1  0.644  0.274  0.154  1.0
  B  B4  1  0.071  0.401  0.772  1.0
  B  B5  1  0.929  0.599  0.228  1.0
  O  O6  1  0.328  0.098  0.761  1.0
  O  O7  1  0.672  0.902  0.239  1.0
  O  O8  1  0.127  0.687  0.709  1.0
  O  O9  1  0.873  0.313  0.291  1.0
  O  O10  1  0.743  0.422  0.846  1.0
  O  O11  1  0.257  0.578  0.154  1.0
[/CIF]
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