The compound described by Li2BBiO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent B(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. B(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form BO4 tetrahedra that share corners with eight equivalent Li(1)O4 tetrahedra. Bi(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one B(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), one B(1), and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_Li2BiBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.939
_cell_length_b   6.672
_cell_length_c   10.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.166
_cell_formula_units_Z   4
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  0.183  0.999  0.583  1.0
  Li  Li1  1  0.317  0.999  0.083  1.0
  Li  Li2  1  0.317  0.501  0.083  1.0
  Li  Li3  1  0.183  0.501  0.583  1.0
  Li  Li4  1  0.683  0.499  0.917  1.0
  Li  Li5  1  0.817  0.499  0.417  1.0
  Li  Li6  1  0.817  0.001  0.417  1.0
  Li  Li7  1  0.683  0.001  0.917  1.0
  Bi  Bi8  1  0.194  0.250  0.829  1.0
  Bi  Bi9  1  0.306  0.250  0.329  1.0
  Bi  Bi10  1  0.694  0.750  0.671  1.0
  Bi  Bi11  1  0.806  0.750  0.171  1.0
  B  B12  1  0.671  0.250  0.654  1.0
  B  B13  1  0.829  0.250  0.154  1.0
  B  B14  1  0.329  0.750  0.346  1.0
  B  B15  1  0.171  0.750  0.846  1.0
  O  O16  1  0.795  0.070  0.597  1.0
  O  O17  1  0.705  0.070  0.097  1.0
  O  O18  1  0.365  0.250  0.634  1.0
  O  O19  1  0.792  0.250  0.301  1.0
  O  O20  1  0.708  0.250  0.801  1.0
  O  O21  1  0.135  0.250  0.134  1.0
  O  O22  1  0.705  0.430  0.097  1.0
  O  O23  1  0.795  0.430  0.597  1.0
  O  O24  1  0.205  0.570  0.403  1.0
  O  O25  1  0.295  0.570  0.903  1.0
  O  O26  1  0.635  0.750  0.366  1.0
  O  O27  1  0.865  0.750  0.866  1.0
  O  O28  1  0.208  0.750  0.699  1.0
  O  O29  1  0.292  0.750  0.199  1.0
  O  O30  1  0.205  0.930  0.403  1.0
  O  O31  1  0.295  0.930  0.903  1.0
[/CIF]
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The compound described by Li2BBiO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent B(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. B(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form BO4 tetrahedra that share corners with eight equivalent Li(1)O4 tetrahedra. Bi(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one B(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), one B(1), and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_Li2BiBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.939
_cell_length_b   6.672
_cell_length_c   10.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.166
_cell_formula_units_Z   4
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  0.183  0.999  0.583  1.0
  Li  Li1  1  0.317  0.999  0.083  1.0
  Li  Li2  1  0.317  0.501  0.083  1.0
  Li  Li3  1  0.183  0.501  0.583  1.0
  Li  Li4  1  0.683  0.499  0.917  1.0
  Li  Li5  1  0.817  0.499  0.417  1.0
  Li  Li6  1  0.817  0.001  0.417  1.0
  Li  Li7  1  0.683  0.001  0.917  1.0
  Bi  Bi8  1  0.194  0.250  0.829  1.0
  Bi  Bi9  1  0.306  0.250  0.329  1.0
  Bi  Bi10  1  0.694  0.750  0.671  1.0
  Bi  Bi11  1  0.806  0.750  0.171  1.0
  B  B12  1  0.671  0.250  0.654  1.0
  B  B13  1  0.829  0.250  0.154  1.0
  B  B14  1  0.329  0.750  0.346  1.0
  B  B15  1  0.171  0.750  0.846  1.0
  O  O16  1  0.795  0.070  0.597  1.0
  O  O17  1  0.705  0.070  0.097  1.0
  O  O18  1  0.365  0.250  0.634  1.0
  O  O19  1  0.792  0.250  0.301  1.0
  O  O20  1  0.708  0.250  0.801  1.0
  O  O21  1  0.135  0.250  0.134  1.0
  O  O22  1  0.705  0.430  0.097  1.0
  O  O23  1  0.795  0.430  0.597  1.0
  O  O24  1  0.205  0.570  0.403  1.0
  O  O25  1  0.295  0.570  0.903  1.0
  O  O26  1  0.635  0.750  0.366  1.0
  O  O27  1  0.865  0.750  0.866  1.0
  O  O28  1  0.208  0.750  0.699  1.0
  O  O29  1  0.292  0.750  0.199  1.0
  O  O30  1  0.205  0.930  0.403  1.0
  O  O31  1  0.295  0.930  0.903  1.0
[/CIF]
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