The structure described by Li2FeBO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, 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 B(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and corners with four equivalent B(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and corners with four equivalent B(1)O4 tetrahedra. B(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one B(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one Fe(1) atom to form distorted OLi3Fe tetrahedra that share corners with two equivalent O(4)LiFeB2 tetrahedra and  an edgeedge with one O(1)Li3Fe tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Li(2), one Fe(1), and two equivalent B(1) atoms to form OLiFeB2 tetrahedra that share corners with two equivalent O(1)Li3Fe tetrahedra and  an edgeedge with one O(4)LiFeB2 tetrahedra. is represented by the CIF file [CIF]
data_Li2FeBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.892
_cell_length_b   6.426
_cell_length_c   9.929
_cell_angle_alpha   89.662
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.089
_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  0.675  0.002  0.415  1.0
  Li  Li1  1  0.825  0.002  0.915  1.0
  Li  Li2  1  0.152  0.742  0.346  1.0
  Li  Li3  1  0.348  0.742  0.846  1.0
  Li  Li4  1  0.652  0.258  0.154  1.0
  Li  Li5  1  0.848  0.258  0.654  1.0
  Li  Li6  1  0.175  0.998  0.085  1.0
  Li  Li7  1  0.325  0.998  0.585  1.0
  Fe  Fe8  1  0.650  0.738  0.168  1.0
  Fe  Fe9  1  0.850  0.738  0.668  1.0
  Fe  Fe10  1  0.150  0.262  0.332  1.0
  Fe  Fe11  1  0.350  0.262  0.832  1.0
  B  B12  1  0.153  0.500  0.083  1.0
  B  B13  1  0.347  0.500  0.583  1.0
  B  B14  1  0.653  0.500  0.417  1.0
  B  B15  1  0.847  0.500  0.917  1.0
  O  O16  1  0.771  0.990  0.113  1.0
  O  O17  1  0.729  0.990  0.613  1.0
  O  O18  1  0.263  0.689  0.139  1.0
  O  O19  1  0.237  0.689  0.639  1.0
  O  O20  1  0.750  0.689  0.355  1.0
  O  O21  1  0.750  0.689  0.855  1.0
  O  O22  1  0.832  0.507  0.073  1.0
  O  O23  1  0.668  0.507  0.573  1.0
  O  O24  1  0.332  0.493  0.427  1.0
  O  O25  1  0.168  0.493  0.927  1.0
  O  O26  1  0.250  0.311  0.145  1.0
  O  O27  1  0.250  0.311  0.645  1.0
  O  O28  1  0.763  0.311  0.361  1.0
  O  O29  1  0.737  0.311  0.861  1.0
  O  O30  1  0.271  0.010  0.387  1.0
  O  O31  1  0.229  0.010  0.887  1.0
[/CIF]
.
The structure described by Li2FeBO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, 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 B(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and corners with four equivalent B(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and corners with four equivalent B(1)O4 tetrahedra. B(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one B(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one Fe(1) atom to form distorted OLi3Fe tetrahedra that share corners with two equivalent O(4)LiFeB2 tetrahedra and  an edgeedge with one O(1)Li3Fe tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Li(2), one Fe(1), and two equivalent B(1) atoms to form OLiFeB2 tetrahedra that share corners with two equivalent O(1)Li3Fe tetrahedra and  an edgeedge with one O(4)LiFeB2 tetrahedra. is represented by the CIF file [CIF]
data_Li2FeBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.892
_cell_length_b   6.426
_cell_length_c   9.929
_cell_angle_alpha   89.662
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.089
_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  0.675  0.002  0.415  1.0
  Li  Li1  1  0.825  0.002  0.915  1.0
  Li  Li2  1  0.152  0.742  0.346  1.0
  Li  Li3  1  0.348  0.742  0.846  1.0
  Li  Li4  1  0.652  0.258  0.154  1.0
  Li  Li5  1  0.848  0.258  0.654  1.0
  Li  Li6  1  0.175  0.998  0.085  1.0
  Li  Li7  1  0.325  0.998  0.585  1.0
  Fe  Fe8  1  0.650  0.738  0.168  1.0
  Fe  Fe9  1  0.850  0.738  0.668  1.0
  Fe  Fe10  1  0.150  0.262  0.332  1.0
  Fe  Fe11  1  0.350  0.262  0.832  1.0
  B  B12  1  0.153  0.500  0.083  1.0
  B  B13  1  0.347  0.500  0.583  1.0
  B  B14  1  0.653  0.500  0.417  1.0
  B  B15  1  0.847  0.500  0.917  1.0
  O  O16  1  0.771  0.990  0.113  1.0
  O  O17  1  0.729  0.990  0.613  1.0
  O  O18  1  0.263  0.689  0.139  1.0
  O  O19  1  0.237  0.689  0.639  1.0
  O  O20  1  0.750  0.689  0.355  1.0
  O  O21  1  0.750  0.689  0.855  1.0
  O  O22  1  0.832  0.507  0.073  1.0
  O  O23  1  0.668  0.507  0.573  1.0
  O  O24  1  0.332  0.493  0.427  1.0
  O  O25  1  0.168  0.493  0.927  1.0
  O  O26  1  0.250  0.311  0.145  1.0
  O  O27  1  0.250  0.311  0.645  1.0
  O  O28  1  0.763  0.311  0.361  1.0
  O  O29  1  0.737  0.311  0.861  1.0
  O  O30  1  0.271  0.010  0.387  1.0
  O  O31  1  0.229  0.010  0.887  1.0
[/CIF]
.