The material structure described by Li4MnFe3(BO3)4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(5), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with three equivalent Fe(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with three equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with three equivalent Fe(3)O5 trigonal bipyramids, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with three equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. Mn(1) is bonded to one O(10), one O(11), one O(2), one O(5), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(2), one O(3), one O(4), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  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(1), one O(10), one O(12), one O(7), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(4)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(1), one O(12), one O(3), one O(4), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)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(2), one O(3), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), 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(7), 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(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Fe(2), one Fe(3), and one B(2) atom. In the second O site, O(2) is bonded to one Li(2), one Mn(1), one Fe(1), and one B(1) atom to form distorted corner-sharing OLiMnFeB tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Fe(1), one Fe(3), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Mn(1), and one B(4) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Fe(3), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(3), one Fe(2), and one B(3) atom. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Fe(1), and one B(1) atom to form distorted corner-sharing OLi2FeB trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Fe(2), and one B(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Fe(2), and one B(4) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), one Fe(1), and one B(4) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), 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   5.209
_cell_length_b   5.217
_cell_length_c   10.403
_cell_angle_alpha   90.674
_cell_angle_beta   91.009
_cell_angle_gamma   119.745
_symmetry_Int_Tables_number   1
_cell_volume   245.375
_cell_formula_units_Z   1
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  0.680  0.653  0.667  1.0
  Li  Li1  1  0.653  0.678  0.169  1.0
  Li  Li2  1  0.350  0.340  0.417  1.0
  Li  Li3  1  0.339  0.348  0.917  1.0
  Mn  Mn4  1  0.672  0.005  0.883  1.0
  Fe  Fe5  1  0.318  0.005  0.132  1.0
  Fe  Fe6  1  0.004  0.319  0.633  1.0
  Fe  Fe7  1  0.010  0.667  0.382  1.0
  B  B8  1  0.996  0.339  0.127  1.0
  B  B9  1  0.664  0.005  0.376  1.0
  B  B10  1  0.338  0.996  0.625  1.0
  B  B11  1  0.005  0.665  0.876  1.0
  O  O12  1  0.928  0.254  0.417  1.0
  O  O13  1  0.743  0.069  0.098  1.0
  O  O14  1  0.974  0.583  0.166  1.0
  O  O15  1  0.415  0.033  0.345  1.0
  O  O16  1  0.728  0.638  0.861  1.0
  O  O17  1  0.648  0.734  0.362  1.0
  O  O18  1  0.363  0.273  0.612  1.0
  O  O19  1  0.273  0.364  0.113  1.0
  O  O20  1  0.584  0.975  0.665  1.0
  O  O21  1  0.041  0.424  0.844  1.0
  O  O22  1  0.246  0.931  0.919  1.0
  O  O23  1  0.068  0.743  0.597  1.0
[/CIF]
.
The material structure described by Li4MnFe3(BO3)4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(5), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with three equivalent Fe(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with three equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with three equivalent Fe(3)O5 trigonal bipyramids, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with three equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. Mn(1) is bonded to one O(10), one O(11), one O(2), one O(5), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(2), one O(3), one O(4), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  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(1), one O(10), one O(12), one O(7), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(4)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(1), one O(12), one O(3), one O(4), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)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(2), one O(3), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), 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(7), 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(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Fe(2), one Fe(3), and one B(2) atom. In the second O site, O(2) is bonded to one Li(2), one Mn(1), one Fe(1), and one B(1) atom to form distorted corner-sharing OLiMnFeB tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Fe(1), one Fe(3), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Mn(1), and one B(4) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Fe(3), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(3), one Fe(2), and one B(3) atom. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Fe(1), and one B(1) atom to form distorted corner-sharing OLi2FeB trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Fe(2), and one B(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Fe(2), and one B(4) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), one Fe(1), and one B(4) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), 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   5.209
_cell_length_b   5.217
_cell_length_c   10.403
_cell_angle_alpha   90.674
_cell_angle_beta   91.009
_cell_angle_gamma   119.745
_symmetry_Int_Tables_number   1
_cell_volume   245.375
_cell_formula_units_Z   1
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  0.680  0.653  0.667  1.0
  Li  Li1  1  0.653  0.678  0.169  1.0
  Li  Li2  1  0.350  0.340  0.417  1.0
  Li  Li3  1  0.339  0.348  0.917  1.0
  Mn  Mn4  1  0.672  0.005  0.883  1.0
  Fe  Fe5  1  0.318  0.005  0.132  1.0
  Fe  Fe6  1  0.004  0.319  0.633  1.0
  Fe  Fe7  1  0.010  0.667  0.382  1.0
  B  B8  1  0.996  0.339  0.127  1.0
  B  B9  1  0.664  0.005  0.376  1.0
  B  B10  1  0.338  0.996  0.625  1.0
  B  B11  1  0.005  0.665  0.876  1.0
  O  O12  1  0.928  0.254  0.417  1.0
  O  O13  1  0.743  0.069  0.098  1.0
  O  O14  1  0.974  0.583  0.166  1.0
  O  O15  1  0.415  0.033  0.345  1.0
  O  O16  1  0.728  0.638  0.861  1.0
  O  O17  1  0.648  0.734  0.362  1.0
  O  O18  1  0.363  0.273  0.612  1.0
  O  O19  1  0.273  0.364  0.113  1.0
  O  O20  1  0.584  0.975  0.665  1.0
  O  O21  1  0.041  0.424  0.844  1.0
  O  O22  1  0.246  0.931  0.919  1.0
  O  O23  1  0.068  0.743  0.597  1.0
[/CIF]
.