The material structure described by Li4MnFe3(BO3)4 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(9) atom to form LiO4 trigonal pyramids that share corners with two equivalent Fe(1)O5 trigonal bipyramids, corners with two equivalent Fe(3)O5 trigonal bipyramids,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(10), one O(4), one O(5), and one O(6) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(7), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Fe(3)O5 trigonal bipyramids,  an edgeedge with one Fe(3)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(12), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. Mn(1) is bonded to one O(11), one O(12), one O(3), one O(5), and one O(9) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(2), one O(3), one O(6), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(5), and two equivalent O(4) atoms to form FeO5 trigonal bipyramids that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(8), and two equivalent O(7) atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. There are four 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(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(12), one O(8), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(4) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(3), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), one Fe(1), one Fe(3), and one B(1) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Fe(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Fe(2), and one B(4) atom. In the fifth O site, O(5) is bonded to one Li(2), one Mn(1), one Fe(2), and one B(2) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Fe(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Fe(3), and one B(1) atom. In the eighth O site, O(8) is bonded to one Li(3), one Fe(1), one Fe(3), and one B(3) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Mn(1), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Fe(2), and one B(4) atom. In the eleventh O site, O(11) is bonded to one Li(4), one Mn(1), one Fe(2), and one B(4) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Fe(1), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4MnFe3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   6.026
_cell_length_c   16.136
_cell_angle_alpha   81.595
_cell_angle_beta   89.516
_cell_angle_gamma   88.726
_symmetry_Int_Tables_number   1
_cell_volume   504.103
_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  0.843  0.816  0.138  1.0
  Li  Li1  1  0.157  0.184  0.862  1.0
  Li  Li2  1  0.652  0.935  0.613  1.0
  Li  Li3  1  0.348  0.065  0.387  1.0
  Li  Li4  1  0.655  0.439  0.108  1.0
  Li  Li5  1  0.345  0.561  0.892  1.0
  Li  Li6  1  0.848  0.317  0.640  1.0
  Li  Li7  1  0.152  0.683  0.360  1.0
  Mn  Mn8  1  0.670  0.520  0.292  1.0
  Mn  Mn9  1  0.330  0.480  0.708  1.0
  Fe  Fe10  1  0.663  0.023  0.792  1.0
  Fe  Fe11  1  0.170  0.781  0.537  1.0
  Fe  Fe12  1  0.337  0.977  0.208  1.0
  Fe  Fe13  1  0.163  0.274  0.043  1.0
  Fe  Fe14  1  0.830  0.219  0.463  1.0
  Fe  Fe15  1  0.837  0.726  0.957  1.0
  B  B16  1  0.327  0.790  0.046  1.0
  B  B17  1  0.830  0.036  0.296  1.0
  B  B18  1  0.673  0.210  0.954  1.0
  B  B19  1  0.170  0.964  0.704  1.0
  B  B20  1  0.829  0.536  0.798  1.0
  B  B21  1  0.328  0.287  0.545  1.0
  B  B22  1  0.171  0.464  0.202  1.0
  B  B23  1  0.672  0.713  0.455  1.0
  O  O24  1  0.587  0.763  0.056  1.0
  O  O25  1  0.182  0.918  0.096  1.0
  O  O26  1  0.704  0.928  0.238  1.0
  O  O27  1  0.296  0.072  0.762  1.0
  O  O28  1  0.792  0.828  0.513  1.0
  O  O29  1  0.818  0.082  0.904  1.0
  O  O30  1  0.314  0.835  0.654  1.0
  O  O31  1  0.090  0.009  0.307  1.0
  O  O32  1  0.413  0.237  0.944  1.0
  O  O33  1  0.910  0.991  0.693  1.0
  O  O34  1  0.686  0.165  0.346  1.0
  O  O35  1  0.208  0.172  0.487  1.0
  O  O36  1  0.797  0.319  0.012  1.0
  O  O37  1  0.320  0.335  0.154  1.0
  O  O38  1  0.089  0.511  0.811  1.0
  O  O39  1  0.587  0.263  0.558  1.0
  O  O40  1  0.911  0.489  0.189  1.0
  O  O41  1  0.680  0.665  0.846  1.0
  O  O42  1  0.181  0.420  0.592  1.0
  O  O43  1  0.203  0.681  0.988  1.0
  O  O44  1  0.711  0.426  0.739  1.0
  O  O45  1  0.289  0.574  0.261  1.0
  O  O46  1  0.819  0.580  0.408  1.0
  O  O47  1  0.413  0.737  0.442  1.0
[/CIF]
.
The material structure described by Li4MnFe3(BO3)4 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(9) atom to form LiO4 trigonal pyramids that share corners with two equivalent Fe(1)O5 trigonal bipyramids, corners with two equivalent Fe(3)O5 trigonal bipyramids,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(10), one O(4), one O(5), and one O(6) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(7), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Fe(3)O5 trigonal bipyramids,  an edgeedge with one Fe(3)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(12), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. Mn(1) is bonded to one O(11), one O(12), one O(3), one O(5), and one O(9) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(2), one O(3), one O(6), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(5), and two equivalent O(4) atoms to form FeO5 trigonal bipyramids that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(8), and two equivalent O(7) atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. There are four 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(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(12), one O(8), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(4) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(3), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), one Fe(1), one Fe(3), and one B(1) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Fe(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Fe(2), and one B(4) atom. In the fifth O site, O(5) is bonded to one Li(2), one Mn(1), one Fe(2), and one B(2) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Fe(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Fe(3), and one B(1) atom. In the eighth O site, O(8) is bonded to one Li(3), one Fe(1), one Fe(3), and one B(3) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Mn(1), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Fe(2), and one B(4) atom. In the eleventh O site, O(11) is bonded to one Li(4), one Mn(1), one Fe(2), and one B(4) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Fe(1), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4MnFe3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   6.026
_cell_length_c   16.136
_cell_angle_alpha   81.595
_cell_angle_beta   89.516
_cell_angle_gamma   88.726
_symmetry_Int_Tables_number   1
_cell_volume   504.103
_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  0.843  0.816  0.138  1.0
  Li  Li1  1  0.157  0.184  0.862  1.0
  Li  Li2  1  0.652  0.935  0.613  1.0
  Li  Li3  1  0.348  0.065  0.387  1.0
  Li  Li4  1  0.655  0.439  0.108  1.0
  Li  Li5  1  0.345  0.561  0.892  1.0
  Li  Li6  1  0.848  0.317  0.640  1.0
  Li  Li7  1  0.152  0.683  0.360  1.0
  Mn  Mn8  1  0.670  0.520  0.292  1.0
  Mn  Mn9  1  0.330  0.480  0.708  1.0
  Fe  Fe10  1  0.663  0.023  0.792  1.0
  Fe  Fe11  1  0.170  0.781  0.537  1.0
  Fe  Fe12  1  0.337  0.977  0.208  1.0
  Fe  Fe13  1  0.163  0.274  0.043  1.0
  Fe  Fe14  1  0.830  0.219  0.463  1.0
  Fe  Fe15  1  0.837  0.726  0.957  1.0
  B  B16  1  0.327  0.790  0.046  1.0
  B  B17  1  0.830  0.036  0.296  1.0
  B  B18  1  0.673  0.210  0.954  1.0
  B  B19  1  0.170  0.964  0.704  1.0
  B  B20  1  0.829  0.536  0.798  1.0
  B  B21  1  0.328  0.287  0.545  1.0
  B  B22  1  0.171  0.464  0.202  1.0
  B  B23  1  0.672  0.713  0.455  1.0
  O  O24  1  0.587  0.763  0.056  1.0
  O  O25  1  0.182  0.918  0.096  1.0
  O  O26  1  0.704  0.928  0.238  1.0
  O  O27  1  0.296  0.072  0.762  1.0
  O  O28  1  0.792  0.828  0.513  1.0
  O  O29  1  0.818  0.082  0.904  1.0
  O  O30  1  0.314  0.835  0.654  1.0
  O  O31  1  0.090  0.009  0.307  1.0
  O  O32  1  0.413  0.237  0.944  1.0
  O  O33  1  0.910  0.991  0.693  1.0
  O  O34  1  0.686  0.165  0.346  1.0
  O  O35  1  0.208  0.172  0.487  1.0
  O  O36  1  0.797  0.319  0.012  1.0
  O  O37  1  0.320  0.335  0.154  1.0
  O  O38  1  0.089  0.511  0.811  1.0
  O  O39  1  0.587  0.263  0.558  1.0
  O  O40  1  0.911  0.489  0.189  1.0
  O  O41  1  0.680  0.665  0.846  1.0
  O  O42  1  0.181  0.420  0.592  1.0
  O  O43  1  0.203  0.681  0.988  1.0
  O  O44  1  0.711  0.426  0.739  1.0
  O  O45  1  0.289  0.574  0.261  1.0
  O  O46  1  0.819  0.580  0.408  1.0
  O  O47  1  0.413  0.737  0.442  1.0
[/CIF]
.