The structure described by Li3Fe2(BO4)2 crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids, and  an edgeedge with one Fe(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), and one B(1) atom to form distorted OLi3B tetrahedra that share corners with two equivalent O(7)Li2FeB trigonal pyramids and  an edgeedge with one O(5)Li2Fe2 trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Fe(1), and one Fe(2) atom to form distorted OLi2Fe2 trigonal pyramids that share  a cornercorner with one O(7)Li2FeB trigonal pyramid,  an edgeedge with one O(1)Li3B tetrahedra, and  an edgeedge with one O(7)Li2FeB trigonal pyramid. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one B(2) atom. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Fe(2), and one B(2) atom to form distorted OLi2FeB trigonal pyramids that share corners with two equivalent O(1)Li3B tetrahedra,  a cornercorner with one O(5)Li2Fe2 trigonal pyramid, and  an edgeedge with one O(5)Li2Fe2 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one B(2) atom. is represented by the CIF file [CIF]
data_Li3Fe2(BO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   6.638
_cell_length_c   10.944
_cell_angle_alpha   82.819
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.529
_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  0.902  0.891  0.787  1.0
  Li  Li1  1  0.098  0.891  0.287  1.0
  Li  Li2  1  0.589  0.209  0.931  1.0
  Li  Li3  1  0.411  0.209  0.431  1.0
  Li  Li4  1  0.397  0.096  0.709  1.0
  Li  Li5  1  0.603  0.096  0.209  1.0
  Fe  Fe6  1  0.097  0.487  0.845  1.0
  Fe  Fe7  1  0.586  0.502  0.653  1.0
  Fe  Fe8  1  0.903  0.487  0.345  1.0
  Fe  Fe9  1  0.414  0.502  0.153  1.0
  B  B10  1  0.425  0.805  0.929  1.0
  B  B11  1  0.575  0.805  0.429  1.0
  B  B12  1  0.918  0.206  0.569  1.0
  B  B13  1  0.082  0.206  0.069  1.0
  O  O14  1  0.560  0.951  0.859  1.0
  O  O15  1  0.440  0.951  0.359  1.0
  O  O16  1  0.183  0.743  0.895  1.0
  O  O17  1  0.817  0.743  0.395  1.0
  O  O18  1  0.474  0.713  0.540  1.0
  O  O19  1  0.526  0.713  0.040  1.0
  O  O20  1  0.866  0.603  0.726  1.0
  O  O21  1  0.134  0.603  0.226  1.0
  O  O22  1  0.401  0.378  0.788  1.0
  O  O23  1  0.599  0.378  0.288  1.0
  O  O24  1  0.951  0.286  0.961  1.0
  O  O25  1  0.049  0.286  0.461  1.0
  O  O26  1  0.652  0.258  0.577  1.0
  O  O27  1  0.348  0.258  0.077  1.0
  O  O28  1  0.040  0.091  0.660  1.0
  O  O29  1  0.960  0.091  0.160  1.0
[/CIF]
.
The structure described by Li3Fe2(BO4)2 crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids, and  an edgeedge with one Fe(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), and one B(1) atom to form distorted OLi3B tetrahedra that share corners with two equivalent O(7)Li2FeB trigonal pyramids and  an edgeedge with one O(5)Li2Fe2 trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Fe(1), and one Fe(2) atom to form distorted OLi2Fe2 trigonal pyramids that share  a cornercorner with one O(7)Li2FeB trigonal pyramid,  an edgeedge with one O(1)Li3B tetrahedra, and  an edgeedge with one O(7)Li2FeB trigonal pyramid. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one B(2) atom. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Fe(2), and one B(2) atom to form distorted OLi2FeB trigonal pyramids that share corners with two equivalent O(1)Li3B tetrahedra,  a cornercorner with one O(5)Li2Fe2 trigonal pyramid, and  an edgeedge with one O(5)Li2Fe2 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one B(2) atom. is represented by the CIF file [CIF]
data_Li3Fe2(BO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   6.638
_cell_length_c   10.944
_cell_angle_alpha   82.819
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.529
_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  0.902  0.891  0.787  1.0
  Li  Li1  1  0.098  0.891  0.287  1.0
  Li  Li2  1  0.589  0.209  0.931  1.0
  Li  Li3  1  0.411  0.209  0.431  1.0
  Li  Li4  1  0.397  0.096  0.709  1.0
  Li  Li5  1  0.603  0.096  0.209  1.0
  Fe  Fe6  1  0.097  0.487  0.845  1.0
  Fe  Fe7  1  0.586  0.502  0.653  1.0
  Fe  Fe8  1  0.903  0.487  0.345  1.0
  Fe  Fe9  1  0.414  0.502  0.153  1.0
  B  B10  1  0.425  0.805  0.929  1.0
  B  B11  1  0.575  0.805  0.429  1.0
  B  B12  1  0.918  0.206  0.569  1.0
  B  B13  1  0.082  0.206  0.069  1.0
  O  O14  1  0.560  0.951  0.859  1.0
  O  O15  1  0.440  0.951  0.359  1.0
  O  O16  1  0.183  0.743  0.895  1.0
  O  O17  1  0.817  0.743  0.395  1.0
  O  O18  1  0.474  0.713  0.540  1.0
  O  O19  1  0.526  0.713  0.040  1.0
  O  O20  1  0.866  0.603  0.726  1.0
  O  O21  1  0.134  0.603  0.226  1.0
  O  O22  1  0.401  0.378  0.788  1.0
  O  O23  1  0.599  0.378  0.288  1.0
  O  O24  1  0.951  0.286  0.961  1.0
  O  O25  1  0.049  0.286  0.461  1.0
  O  O26  1  0.652  0.258  0.577  1.0
  O  O27  1  0.348  0.258  0.077  1.0
  O  O28  1  0.040  0.091  0.660  1.0
  O  O29  1  0.960  0.091  0.160  1.0
[/CIF]
.