The material described by Li2MnFe(BO3)2 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(11), one O(2), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(2), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(10), one O(3), one O(5), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(12), one O(3), and one O(4) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids, edges with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Li(4)O4 trigonal pyramid. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(3)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 Fe(2)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(1), one O(5), one O(6), one O(7), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Fe(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(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), 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(11), 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(12), and one O(8) 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(2), one Fe(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one B(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Mn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(2), and one B(2) atom. In the fifth O site, O(5) is bonded to one Li(4), one Fe(1), one Fe(2), and one B(1) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the sixth O site, O(6) is bonded to one Li(3), one Fe(1), one Fe(2), and one B(2) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(2), and one B(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Fe(1), one Fe(2), and one B(4) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(2), 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(3), one Li(4), one Mn(1), and one B(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Mn(1), one Mn(2), and one B(3) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the twelfth O site, O(12) is bonded to one Li(2), one Mn(1), one Mn(2), and one B(4) atom to form distorted edge-sharing OLiMn2B tetrahedra. is represented by the CIF card [CIF]
data_Li2MnFe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.166
_cell_length_b   6.177
_cell_length_c   8.050
_cell_angle_alpha   78.830
_cell_angle_beta   88.659
_cell_angle_gamma   87.763
_symmetry_Int_Tables_number   1
_cell_volume   251.818
_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  0.917  0.525  0.148  1.0
  Li  Li1  1  0.083  0.475  0.852  1.0
  Li  Li2  1  0.417  0.025  0.652  1.0
  Li  Li3  1  0.583  0.975  0.348  1.0
  Mn  Mn4  1  0.096  0.744  0.495  1.0
  Mn  Mn5  1  0.905  0.257  0.505  1.0
  Fe  Fe6  1  0.409  0.755  0.012  1.0
  Fe  Fe7  1  0.590  0.243  0.988  1.0
  B  B8  1  0.096  0.094  0.167  1.0
  B  B9  1  0.904  0.907  0.833  1.0
  B  B10  1  0.402  0.410  0.329  1.0
  B  B11  1  0.599  0.590  0.671  1.0
  O  O12  1  0.983  0.252  0.043  1.0
  O  O13  1  0.017  0.748  0.957  1.0
  O  O14  1  0.957  0.007  0.314  1.0
  O  O15  1  0.043  0.993  0.686  1.0
  O  O16  1  0.357  0.026  0.151  1.0
  O  O17  1  0.642  0.974  0.849  1.0
  O  O18  1  0.545  0.501  0.185  1.0
  O  O19  1  0.456  0.500  0.815  1.0
  O  O20  1  0.508  0.247  0.453  1.0
  O  O21  1  0.492  0.753  0.547  1.0
  O  O22  1  0.143  0.483  0.344  1.0
  O  O23  1  0.857  0.518  0.656  1.0
[/CIF]
.
The material described by Li2MnFe(BO3)2 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(11), one O(2), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(2), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(10), one O(3), one O(5), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(12), one O(3), and one O(4) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids, edges with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Li(4)O4 trigonal pyramid. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(3)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 Fe(2)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(1), one O(5), one O(6), one O(7), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Fe(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(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), 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(11), 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(12), and one O(8) 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(2), one Fe(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one B(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Mn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(2), and one B(2) atom. In the fifth O site, O(5) is bonded to one Li(4), one Fe(1), one Fe(2), and one B(1) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the sixth O site, O(6) is bonded to one Li(3), one Fe(1), one Fe(2), and one B(2) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(2), and one B(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Fe(1), one Fe(2), and one B(4) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(2), 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(3), one Li(4), one Mn(1), and one B(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Mn(1), one Mn(2), and one B(3) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the twelfth O site, O(12) is bonded to one Li(2), one Mn(1), one Mn(2), and one B(4) atom to form distorted edge-sharing OLiMn2B tetrahedra. is represented by the CIF card [CIF]
data_Li2MnFe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.166
_cell_length_b   6.177
_cell_length_c   8.050
_cell_angle_alpha   78.830
_cell_angle_beta   88.659
_cell_angle_gamma   87.763
_symmetry_Int_Tables_number   1
_cell_volume   251.818
_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  0.917  0.525  0.148  1.0
  Li  Li1  1  0.083  0.475  0.852  1.0
  Li  Li2  1  0.417  0.025  0.652  1.0
  Li  Li3  1  0.583  0.975  0.348  1.0
  Mn  Mn4  1  0.096  0.744  0.495  1.0
  Mn  Mn5  1  0.905  0.257  0.505  1.0
  Fe  Fe6  1  0.409  0.755  0.012  1.0
  Fe  Fe7  1  0.590  0.243  0.988  1.0
  B  B8  1  0.096  0.094  0.167  1.0
  B  B9  1  0.904  0.907  0.833  1.0
  B  B10  1  0.402  0.410  0.329  1.0
  B  B11  1  0.599  0.590  0.671  1.0
  O  O12  1  0.983  0.252  0.043  1.0
  O  O13  1  0.017  0.748  0.957  1.0
  O  O14  1  0.957  0.007  0.314  1.0
  O  O15  1  0.043  0.993  0.686  1.0
  O  O16  1  0.357  0.026  0.151  1.0
  O  O17  1  0.642  0.974  0.849  1.0
  O  O18  1  0.545  0.501  0.185  1.0
  O  O19  1  0.456  0.500  0.815  1.0
  O  O20  1  0.508  0.247  0.453  1.0
  O  O21  1  0.492  0.753  0.547  1.0
  O  O22  1  0.143  0.483  0.344  1.0
  O  O23  1  0.857  0.518  0.656  1.0
[/CIF]
.