The material structure described by LiBi(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one B(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_LiBi(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.936
_cell_length_b   5.936
_cell_length_c   5.936
_cell_angle_alpha   48.528
_cell_angle_beta   48.528
_cell_angle_gamma   48.528
_symmetry_Int_Tables_number   1
_cell_volume   107.693
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Bi  Bi1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.255  0.255  0.255  1.0
  B  B3  1  0.745  0.745  0.745  1.0
  O  O4  1  0.746  0.031  0.464  1.0
  O  O5  1  0.969  0.536  0.254  1.0
  O  O6  1  0.536  0.254  0.969  1.0
  O  O7  1  0.464  0.746  0.031  1.0
  O  O8  1  0.031  0.464  0.746  1.0
  O  O9  1  0.254  0.969  0.536  1.0
[/CIF]
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The material structure described by LiBi(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one B(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_LiBi(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.936
_cell_length_b   5.936
_cell_length_c   5.936
_cell_angle_alpha   48.528
_cell_angle_beta   48.528
_cell_angle_gamma   48.528
_symmetry_Int_Tables_number   1
_cell_volume   107.693
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Bi  Bi1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.255  0.255  0.255  1.0
  B  B3  1  0.745  0.745  0.745  1.0
  O  O4  1  0.746  0.031  0.464  1.0
  O  O5  1  0.969  0.536  0.254  1.0
  O  O6  1  0.536  0.254  0.969  1.0
  O  O7  1  0.464  0.746  0.031  1.0
  O  O8  1  0.031  0.464  0.746  1.0
  O  O9  1  0.254  0.969  0.536  1.0
[/CIF]
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