The crystal structure described by Li4Fe3(BO3)4 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(3), and one O(7) 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, corners with two equivalent Fe(1)O5 trigonal bipyramids, corners with two equivalent Fe(3)O6 trigonal bipyramids, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(11), one O(2), one O(4), one O(8), 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 Li(4)O5 trigonal bipyramid, edges with two equivalent Fe(3)O6 trigonal bipyramids, and  an edgeedge with one Fe(2)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(12), one O(3), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Fe(3)O6 trigonal bipyramids,  a cornercorner with one Fe(2)O4 trigonal pyramid, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(3), one O(5), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O4 trigonal pyramid,  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,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O6 trigonal bipyramid. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(12), one O(5), and one O(7) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 trigonal pyramid, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form distorted FeO4 trigonal pyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Fe(3)O6 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(3), one O(4), one O(6), and one O(8) atom to form distorted FeO6 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(2)O4 trigonal pyramids,  an edgeedge with one Li(4)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(12), one O(7), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(8) 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(4) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one B(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Fe(3), and one B(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), one Fe(3), and one B(3) atom. In the fourth O site, O(4) is bonded to one Li(2), one Fe(2), one Fe(3), and one B(3) atom to form distorted OLiFe2B trigonal pyramids that share corners with two equivalent O(11)Li2FeB trigonal pyramids,  an edgeedge with one O(8)Li2FeB tetrahedra, and  an edgeedge with one O(9)Li3FeB trigonal bipyramid. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one B(4) 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 distorted trigonal planar geometry to one Li(1), one Fe(1), and one B(1) atom. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Fe(3), and one B(2) atom to form distorted OLi2FeB tetrahedra that share corners with two equivalent O(9)Li3FeB trigonal bipyramids, corners with three equivalent O(11)Li2FeB trigonal pyramids, and  an edgeedge with one O(4)LiFe2B trigonal pyramid. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(4), one Fe(2), and one B(1) atom to form distorted OLi3FeB trigonal bipyramids that share corners with two equivalent O(8)Li2FeB tetrahedra,  a cornercorner with one O(11)Li2FeB trigonal pyramid, and  an edgeedge with one O(4)LiFe2B trigonal pyramid. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Fe(1), and one B(2) 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(8)Li2FeB tetrahedra,  a cornercorner with one O(9)Li3FeB trigonal bipyramid, and corners with two equivalent O(4)LiFe2B trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Fe3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.949
_cell_length_b   5.252
_cell_length_c   11.053
_cell_angle_alpha   64.084
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.287
_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  0.237  0.520  0.319  1.0
  Li  Li1  1  0.913  0.454  0.382  1.0
  Li  Li2  1  0.237  0.894  0.922  1.0
  Li  Li3  1  0.736  0.089  0.611  1.0
  Li  Li4  1  0.763  0.520  0.819  1.0
  Li  Li5  1  0.763  0.894  0.422  1.0
  Li  Li6  1  0.087  0.454  0.882  1.0
  Li  Li7  1  0.264  0.089  0.111  1.0
  Fe  Fe8  1  0.570  0.975  0.870  1.0
  Fe  Fe9  1  0.699  0.471  0.170  1.0
  Fe  Fe10  1  0.062  0.020  0.624  1.0
  Fe  Fe11  1  0.430  0.975  0.370  1.0
  Fe  Fe12  1  0.938  0.020  0.124  1.0
  Fe  Fe13  1  0.301  0.471  0.670  1.0
  B  B14  1  0.573  0.449  0.385  1.0
  B  B15  1  0.911  0.973  0.867  1.0
  B  B16  1  0.059  0.561  0.119  1.0
  B  B17  1  0.409  0.022  0.627  1.0
  B  B18  1  0.089  0.973  0.367  1.0
  B  B19  1  0.427  0.449  0.885  1.0
  B  B20  1  0.591  0.022  0.127  1.0
  B  B21  1  0.941  0.561  0.619  1.0
  O  O22  1  0.584  0.825  0.074  1.0
  O  O23  1  0.918  0.331  0.592  1.0
  O  O24  1  0.168  0.748  0.114  1.0
  O  O25  1  0.915  0.617  0.155  1.0
  O  O26  1  0.533  0.114  0.670  1.0
  O  O27  1  0.270  0.126  0.640  1.0
  O  O28  1  0.435  0.352  0.366  1.0
  O  O29  1  0.039  0.878  0.828  1.0
  O  O30  1  0.702  0.299  0.382  1.0
  O  O31  1  0.773  0.864  0.852  1.0
  O  O32  1  0.081  0.172  0.418  1.0
  O  O33  1  0.413  0.697  0.898  1.0
  O  O34  1  0.082  0.331  0.092  1.0
  O  O35  1  0.416  0.825  0.574  1.0
  O  O36  1  0.467  0.114  0.170  1.0
  O  O37  1  0.832  0.748  0.614  1.0
  O  O38  1  0.730  0.126  0.140  1.0
  O  O39  1  0.085  0.617  0.655  1.0
  O  O40  1  0.961  0.878  0.328  1.0
  O  O41  1  0.565  0.352  0.866  1.0
  O  O42  1  0.227  0.864  0.352  1.0
  O  O43  1  0.298  0.299  0.882  1.0
  O  O44  1  0.587  0.697  0.398  1.0
  O  O45  1  0.919  0.172  0.918  1.0
[/CIF]
.
The crystal structure described by Li4Fe3(BO3)4 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(3), and one O(7) 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, corners with two equivalent Fe(1)O5 trigonal bipyramids, corners with two equivalent Fe(3)O6 trigonal bipyramids, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(11), one O(2), one O(4), one O(8), 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 Li(4)O5 trigonal bipyramid, edges with two equivalent Fe(3)O6 trigonal bipyramids, and  an edgeedge with one Fe(2)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(12), one O(3), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Fe(3)O6 trigonal bipyramids,  a cornercorner with one Fe(2)O4 trigonal pyramid, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(3), one O(5), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O4 trigonal pyramid,  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,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O6 trigonal bipyramid. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(12), one O(5), and one O(7) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 trigonal pyramid, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form distorted FeO4 trigonal pyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Fe(3)O6 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(3), one O(4), one O(6), and one O(8) atom to form distorted FeO6 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(2)O4 trigonal pyramids,  an edgeedge with one Li(4)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(12), one O(7), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(8) 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(4) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one B(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Fe(3), and one B(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), one Fe(3), and one B(3) atom. In the fourth O site, O(4) is bonded to one Li(2), one Fe(2), one Fe(3), and one B(3) atom to form distorted OLiFe2B trigonal pyramids that share corners with two equivalent O(11)Li2FeB trigonal pyramids,  an edgeedge with one O(8)Li2FeB tetrahedra, and  an edgeedge with one O(9)Li3FeB trigonal bipyramid. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one B(4) 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 distorted trigonal planar geometry to one Li(1), one Fe(1), and one B(1) atom. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Fe(3), and one B(2) atom to form distorted OLi2FeB tetrahedra that share corners with two equivalent O(9)Li3FeB trigonal bipyramids, corners with three equivalent O(11)Li2FeB trigonal pyramids, and  an edgeedge with one O(4)LiFe2B trigonal pyramid. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(4), one Fe(2), and one B(1) atom to form distorted OLi3FeB trigonal bipyramids that share corners with two equivalent O(8)Li2FeB tetrahedra,  a cornercorner with one O(11)Li2FeB trigonal pyramid, and  an edgeedge with one O(4)LiFe2B trigonal pyramid. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Fe(1), and one B(2) 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(8)Li2FeB tetrahedra,  a cornercorner with one O(9)Li3FeB trigonal bipyramid, and corners with two equivalent O(4)LiFe2B trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Fe3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.949
_cell_length_b   5.252
_cell_length_c   11.053
_cell_angle_alpha   64.084
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.287
_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  0.237  0.520  0.319  1.0
  Li  Li1  1  0.913  0.454  0.382  1.0
  Li  Li2  1  0.237  0.894  0.922  1.0
  Li  Li3  1  0.736  0.089  0.611  1.0
  Li  Li4  1  0.763  0.520  0.819  1.0
  Li  Li5  1  0.763  0.894  0.422  1.0
  Li  Li6  1  0.087  0.454  0.882  1.0
  Li  Li7  1  0.264  0.089  0.111  1.0
  Fe  Fe8  1  0.570  0.975  0.870  1.0
  Fe  Fe9  1  0.699  0.471  0.170  1.0
  Fe  Fe10  1  0.062  0.020  0.624  1.0
  Fe  Fe11  1  0.430  0.975  0.370  1.0
  Fe  Fe12  1  0.938  0.020  0.124  1.0
  Fe  Fe13  1  0.301  0.471  0.670  1.0
  B  B14  1  0.573  0.449  0.385  1.0
  B  B15  1  0.911  0.973  0.867  1.0
  B  B16  1  0.059  0.561  0.119  1.0
  B  B17  1  0.409  0.022  0.627  1.0
  B  B18  1  0.089  0.973  0.367  1.0
  B  B19  1  0.427  0.449  0.885  1.0
  B  B20  1  0.591  0.022  0.127  1.0
  B  B21  1  0.941  0.561  0.619  1.0
  O  O22  1  0.584  0.825  0.074  1.0
  O  O23  1  0.918  0.331  0.592  1.0
  O  O24  1  0.168  0.748  0.114  1.0
  O  O25  1  0.915  0.617  0.155  1.0
  O  O26  1  0.533  0.114  0.670  1.0
  O  O27  1  0.270  0.126  0.640  1.0
  O  O28  1  0.435  0.352  0.366  1.0
  O  O29  1  0.039  0.878  0.828  1.0
  O  O30  1  0.702  0.299  0.382  1.0
  O  O31  1  0.773  0.864  0.852  1.0
  O  O32  1  0.081  0.172  0.418  1.0
  O  O33  1  0.413  0.697  0.898  1.0
  O  O34  1  0.082  0.331  0.092  1.0
  O  O35  1  0.416  0.825  0.574  1.0
  O  O36  1  0.467  0.114  0.170  1.0
  O  O37  1  0.832  0.748  0.614  1.0
  O  O38  1  0.730  0.126  0.140  1.0
  O  O39  1  0.085  0.617  0.655  1.0
  O  O40  1  0.961  0.878  0.328  1.0
  O  O41  1  0.565  0.352  0.866  1.0
  O  O42  1  0.227  0.864  0.352  1.0
  O  O43  1  0.298  0.299  0.882  1.0
  O  O44  1  0.587  0.697  0.398  1.0
  O  O45  1  0.919  0.172  0.918  1.0
[/CIF]
.