The structure described by Li5Fe3(BO3)4 crystallizes in the monoclinic Pc space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(3), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(2), one O(5), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(2)O4 tetrahedra,  an edgeedge with one Li(5)O5 trigonal bipyramid, and edges with two equivalent Fe(3)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(3), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(1), one O(12), one O(3), one O(4), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Li(5)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one O(10), one O(2), one O(3), one O(4), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Li(4)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(4), one O(7), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(5)O5 trigonal bipyramid, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(5), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Fe(3)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and edges with two equivalent Li(2)O5 trigonal bipyramids. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(8), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(4), one Fe(1), one Fe(2), and one B(4) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(5), one Fe(3), and one B(3) atom. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), and one B(3) atom to form a mixture of distorted corner and edge-sharing OLi4B trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(5), one Fe(1), and one B(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Fe(2), one Fe(3), and one B(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one B(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Fe(1), and one B(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Fe(1), and one B(2) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Fe(3), and one B(2) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(3)Li4B trigonal bipyramid,  a cornercorner with one O(12)Li2FeB trigonal pyramid, and corners with three equivalent O(11)Li2FeB trigonal pyramids. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(5), one Fe(2), and one B(1) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Fe(3), and one B(2) atom to form distorted OLi2FeB trigonal pyramids that share corners with three equivalent O(9)Li2FeB tetrahedra and  a cornercorner with one O(3)Li4B trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Fe(1), and one B(1) atom to form distorted OLi2FeB trigonal pyramids that share  a cornercorner with one O(9)Li2FeB tetrahedra and  an edgeedge with one O(3)Li4B trigonal bipyramid. is represented by the CIF file [CIF]
data_Li5Fe3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.981
_cell_length_b   5.246
_cell_length_c   11.231
_cell_angle_alpha   63.849
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   474.934
_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  0.233  0.501  0.338  1.0
  Li  Li1  1  0.915  0.457  0.384  1.0
  Li  Li2  1  0.239  0.915  0.905  1.0
  Li  Li3  1  0.406  0.550  0.113  1.0
  Li  Li4  1  0.740  0.067  0.612  1.0
  Li  Li5  1  0.767  0.501  0.838  1.0
  Li  Li6  1  0.761  0.915  0.405  1.0
  Li  Li7  1  0.085  0.457  0.884  1.0
  Li  Li8  1  0.260  0.067  0.112  1.0
  Li  Li9  1  0.594  0.550  0.613  1.0
  Fe  Fe10  1  0.573  0.977  0.870  1.0
  Fe  Fe11  1  0.723  0.488  0.167  1.0
  Fe  Fe12  1  0.071  0.033  0.623  1.0
  Fe  Fe13  1  0.427  0.977  0.370  1.0
  Fe  Fe14  1  0.929  0.033  0.123  1.0
  Fe  Fe15  1  0.277  0.488  0.667  1.0
  B  B16  1  0.575  0.457  0.379  1.0
  B  B17  1  0.916  0.963  0.871  1.0
  B  B18  1  0.078  0.550  0.120  1.0
  B  B19  1  0.417  0.030  0.628  1.0
  B  B20  1  0.084  0.963  0.371  1.0
  B  B21  1  0.425  0.457  0.879  1.0
  B  B22  1  0.583  0.030  0.128  1.0
  B  B23  1  0.922  0.550  0.620  1.0
  O  O24  1  0.580  0.807  0.093  1.0
  O  O25  1  0.917  0.318  0.591  1.0
  O  O26  1  0.203  0.701  0.118  1.0
  O  O27  1  0.542  0.145  0.654  1.0
  O  O28  1  0.939  0.630  0.152  1.0
  O  O29  1  0.276  0.140  0.638  1.0
  O  O30  1  0.437  0.377  0.351  1.0
  O  O31  1  0.785  0.838  0.864  1.0
  O  O32  1  0.048  0.892  0.825  1.0
  O  O33  1  0.705  0.312  0.371  1.0
  O  O34  1  0.077  0.166  0.422  1.0
  O  O35  1  0.409  0.684  0.909  1.0
  O  O36  1  0.083  0.318  0.091  1.0
  O  O37  1  0.420  0.807  0.593  1.0
  O  O38  1  0.797  0.701  0.618  1.0
  O  O39  1  0.458  0.145  0.154  1.0
  O  O40  1  0.724  0.140  0.138  1.0
  O  O41  1  0.061  0.630  0.652  1.0
  O  O42  1  0.215  0.838  0.364  1.0
  O  O43  1  0.563  0.377  0.851  1.0
  O  O44  1  0.952  0.892  0.325  1.0
  O  O45  1  0.295  0.312  0.871  1.0
  O  O46  1  0.591  0.684  0.409  1.0
  O  O47  1  0.923  0.166  0.922  1.0
[/CIF]
.
The structure described by Li5Fe3(BO3)4 crystallizes in the monoclinic Pc space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(3), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(2), one O(5), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(2)O4 tetrahedra,  an edgeedge with one Li(5)O5 trigonal bipyramid, and edges with two equivalent Fe(3)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(3), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(1), one O(12), one O(3), one O(4), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Li(5)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one O(10), one O(2), one O(3), one O(4), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Li(4)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(4), one O(7), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(5)O5 trigonal bipyramid, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(5), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Fe(3)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and edges with two equivalent Li(2)O5 trigonal bipyramids. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(8), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(4), one Fe(1), one Fe(2), and one B(4) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(5), one Fe(3), and one B(3) atom. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), and one B(3) atom to form a mixture of distorted corner and edge-sharing OLi4B trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(5), one Fe(1), and one B(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Fe(2), one Fe(3), and one B(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one B(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Fe(1), and one B(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Fe(1), and one B(2) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Fe(3), and one B(2) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(3)Li4B trigonal bipyramid,  a cornercorner with one O(12)Li2FeB trigonal pyramid, and corners with three equivalent O(11)Li2FeB trigonal pyramids. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(5), one Fe(2), and one B(1) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Fe(3), and one B(2) atom to form distorted OLi2FeB trigonal pyramids that share corners with three equivalent O(9)Li2FeB tetrahedra and  a cornercorner with one O(3)Li4B trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Fe(1), and one B(1) atom to form distorted OLi2FeB trigonal pyramids that share  a cornercorner with one O(9)Li2FeB tetrahedra and  an edgeedge with one O(3)Li4B trigonal bipyramid. is represented by the CIF file [CIF]
data_Li5Fe3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.981
_cell_length_b   5.246
_cell_length_c   11.231
_cell_angle_alpha   63.849
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   474.934
_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  0.233  0.501  0.338  1.0
  Li  Li1  1  0.915  0.457  0.384  1.0
  Li  Li2  1  0.239  0.915  0.905  1.0
  Li  Li3  1  0.406  0.550  0.113  1.0
  Li  Li4  1  0.740  0.067  0.612  1.0
  Li  Li5  1  0.767  0.501  0.838  1.0
  Li  Li6  1  0.761  0.915  0.405  1.0
  Li  Li7  1  0.085  0.457  0.884  1.0
  Li  Li8  1  0.260  0.067  0.112  1.0
  Li  Li9  1  0.594  0.550  0.613  1.0
  Fe  Fe10  1  0.573  0.977  0.870  1.0
  Fe  Fe11  1  0.723  0.488  0.167  1.0
  Fe  Fe12  1  0.071  0.033  0.623  1.0
  Fe  Fe13  1  0.427  0.977  0.370  1.0
  Fe  Fe14  1  0.929  0.033  0.123  1.0
  Fe  Fe15  1  0.277  0.488  0.667  1.0
  B  B16  1  0.575  0.457  0.379  1.0
  B  B17  1  0.916  0.963  0.871  1.0
  B  B18  1  0.078  0.550  0.120  1.0
  B  B19  1  0.417  0.030  0.628  1.0
  B  B20  1  0.084  0.963  0.371  1.0
  B  B21  1  0.425  0.457  0.879  1.0
  B  B22  1  0.583  0.030  0.128  1.0
  B  B23  1  0.922  0.550  0.620  1.0
  O  O24  1  0.580  0.807  0.093  1.0
  O  O25  1  0.917  0.318  0.591  1.0
  O  O26  1  0.203  0.701  0.118  1.0
  O  O27  1  0.542  0.145  0.654  1.0
  O  O28  1  0.939  0.630  0.152  1.0
  O  O29  1  0.276  0.140  0.638  1.0
  O  O30  1  0.437  0.377  0.351  1.0
  O  O31  1  0.785  0.838  0.864  1.0
  O  O32  1  0.048  0.892  0.825  1.0
  O  O33  1  0.705  0.312  0.371  1.0
  O  O34  1  0.077  0.166  0.422  1.0
  O  O35  1  0.409  0.684  0.909  1.0
  O  O36  1  0.083  0.318  0.091  1.0
  O  O37  1  0.420  0.807  0.593  1.0
  O  O38  1  0.797  0.701  0.618  1.0
  O  O39  1  0.458  0.145  0.154  1.0
  O  O40  1  0.724  0.140  0.138  1.0
  O  O41  1  0.061  0.630  0.652  1.0
  O  O42  1  0.215  0.838  0.364  1.0
  O  O43  1  0.563  0.377  0.851  1.0
  O  O44  1  0.952  0.892  0.325  1.0
  O  O45  1  0.295  0.312  0.871  1.0
  O  O46  1  0.591  0.684  0.409  1.0
  O  O47  1  0.923  0.166  0.922  1.0
[/CIF]
.