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(1), one O(3), one O(6), and one O(7) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(11), one O(2), one O(4), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(11), one O(2), 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(2)O5 trigonal bipyramid, corners with two equivalent Fe(3)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(6), and one O(7) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. Mn(1) is bonded to one O(1), one O(10), one O(4), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Fe(3)O5 trigonal bipyramids, and  an edgeedge with one Li(4)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(5), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Li(3)O4 tetrahedra, and edges with two equivalent Fe(2)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids, edges with two equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(11), one O(4), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(3)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Mn(1)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(1), one O(2), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(6), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(7) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), one Fe(3), and one B(1) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Fe(1), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(2), and one B(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Fe(3), and one B(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Fe(1), one Fe(2), and one B(3) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Fe(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Mn(1), and one B(3) atom. In the eighth O site, O(8) is bonded to one Li(3), one Mn(1), one Fe(3), and one B(2) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(3), one Fe(1), one Fe(2), and one B(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Fe(3), and one B(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Fe(3), and one B(4) atom. In the twelfth O site, O(12) is bonded to one Li(4), one Fe(1), one Fe(2), and one B(4) atom to form distorted edge-sharing OLiFe2B tetrahedra. is represented by the CIF card [CIF]
data_Li4MnFe3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   6.010
_cell_length_c   8.996
_cell_angle_alpha   102.496
_cell_angle_beta   90.845
_cell_angle_gamma   113.840
_symmetry_Int_Tables_number   1
_cell_volume   251.414
_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  0.593  0.324  0.967  1.0
  Li  Li1  1  0.092  0.326  0.466  1.0
  Li  Li2  1  0.907  0.673  0.533  1.0
  Li  Li3  1  0.412  0.679  0.035  1.0
  Mn  Mn4  1  0.040  0.228  0.792  1.0
  Fe  Fe5  1  0.536  0.229  0.290  1.0
  Fe  Fe6  1  0.950  0.761  0.208  1.0
  Fe  Fe7  1  0.447  0.761  0.706  1.0
  B  B8  1  0.554  0.261  0.630  1.0
  B  B9  1  0.947  0.740  0.868  1.0
  B  B10  1  0.056  0.261  0.134  1.0
  B  B11  1  0.448  0.744  0.367  1.0
  O  O12  1  0.620  0.175  0.752  1.0
  O  O13  1  0.722  0.296  0.513  1.0
  O  O14  1  0.822  0.315  0.139  1.0
  O  O15  1  0.322  0.320  0.633  1.0
  O  O16  1  0.129  0.175  0.255  1.0
  O  O17  1  0.784  0.704  0.987  1.0
  O  O18  1  0.223  0.299  0.016  1.0
  O  O19  1  0.869  0.818  0.746  1.0
  O  O20  1  0.685  0.691  0.365  1.0
  O  O21  1  0.185  0.691  0.866  1.0
  O  O22  1  0.283  0.705  0.485  1.0
  O  O23  1  0.372  0.823  0.245  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(1), one O(3), one O(6), and one O(7) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(11), one O(2), one O(4), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(11), one O(2), 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(2)O5 trigonal bipyramid, corners with two equivalent Fe(3)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(6), and one O(7) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. Mn(1) is bonded to one O(1), one O(10), one O(4), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Fe(3)O5 trigonal bipyramids, and  an edgeedge with one Li(4)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(5), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Li(3)O4 tetrahedra, and edges with two equivalent Fe(2)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids, edges with two equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(11), one O(4), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(3)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Mn(1)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(1), one O(2), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(6), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(7) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), one Fe(3), and one B(1) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Fe(1), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(2), and one B(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Fe(3), and one B(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Fe(1), one Fe(2), and one B(3) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Fe(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Mn(1), and one B(3) atom. In the eighth O site, O(8) is bonded to one Li(3), one Mn(1), one Fe(3), and one B(2) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(3), one Fe(1), one Fe(2), and one B(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Fe(3), and one B(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Fe(3), and one B(4) atom. In the twelfth O site, O(12) is bonded to one Li(4), one Fe(1), one Fe(2), and one B(4) atom to form distorted edge-sharing OLiFe2B tetrahedra. is represented by the CIF card [CIF]
data_Li4MnFe3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   6.010
_cell_length_c   8.996
_cell_angle_alpha   102.496
_cell_angle_beta   90.845
_cell_angle_gamma   113.840
_symmetry_Int_Tables_number   1
_cell_volume   251.414
_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  0.593  0.324  0.967  1.0
  Li  Li1  1  0.092  0.326  0.466  1.0
  Li  Li2  1  0.907  0.673  0.533  1.0
  Li  Li3  1  0.412  0.679  0.035  1.0
  Mn  Mn4  1  0.040  0.228  0.792  1.0
  Fe  Fe5  1  0.536  0.229  0.290  1.0
  Fe  Fe6  1  0.950  0.761  0.208  1.0
  Fe  Fe7  1  0.447  0.761  0.706  1.0
  B  B8  1  0.554  0.261  0.630  1.0
  B  B9  1  0.947  0.740  0.868  1.0
  B  B10  1  0.056  0.261  0.134  1.0
  B  B11  1  0.448  0.744  0.367  1.0
  O  O12  1  0.620  0.175  0.752  1.0
  O  O13  1  0.722  0.296  0.513  1.0
  O  O14  1  0.822  0.315  0.139  1.0
  O  O15  1  0.322  0.320  0.633  1.0
  O  O16  1  0.129  0.175  0.255  1.0
  O  O17  1  0.784  0.704  0.987  1.0
  O  O18  1  0.223  0.299  0.016  1.0
  O  O19  1  0.869  0.818  0.746  1.0
  O  O20  1  0.685  0.691  0.365  1.0
  O  O21  1  0.185  0.691  0.866  1.0
  O  O22  1  0.283  0.705  0.485  1.0
  O  O23  1  0.372  0.823  0.245  1.0
[/CIF]
.