The material structure described by Li3MnFe2(BO3)3 crystallizes in the monoclinic Pm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Fe(1)O5 trigonal bipyramids, and corners with two equivalent Fe(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(2), one O(9), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Fe(1)O5 trigonal bipyramids, and corners with two equivalent Fe(2)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(5), one O(8), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Fe(1)O5 trigonal bipyramids, and corners with two equivalent Fe(2)O5 trigonal bipyramids. Mn(1) is bonded to one O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(7), two equivalent O(4), and two equivalent O(9) atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(8) atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Fe(2)O5 trigonal bipyramids. There are three 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(7) 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(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(6), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Fe(2), and one B(1) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(7)Li2FeB tetrahedra,  a cornercorner with one O(3)Li2MnB tetrahedra, corners with two equivalent O(1)Li2FeB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(8)LiFe2B tetrahedra, and corners with two equivalent O(6)LiMn2B tetrahedra. In the second O site, O(2) is bonded to one Li(2), two equivalent Fe(2), and one B(2) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(4)LiFe2B tetrahedra,  a cornercorner with one O(9)LiFe2B tetrahedra,  a cornercorner with one O(5)LiMn2B tetrahedra, corners with two equivalent O(1)Li2FeB tetrahedra, corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(8)LiFe2B tetrahedra, and  an edgeedge with one O(8)LiFe2B tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(2), one Mn(1), and one B(1) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(1)Li2FeB tetrahedra,  a cornercorner with one O(7)Li2FeB tetrahedra, corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(9)LiFe2B tetrahedra, corners with two equivalent O(5)LiMn2B tetrahedra, and corners with two equivalent O(6)LiMn2B tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Fe(1), and one B(2) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(2)LiFe2B tetrahedra,  a cornercorner with one O(5)LiMn2B tetrahedra,  a cornercorner with one O(6)LiMn2B tetrahedra, corners with two equivalent O(1)Li2FeB tetrahedra, corners with two equivalent O(7)Li2FeB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(9)LiFe2B tetrahedra, and  an edgeedge with one O(9)LiFe2B tetrahedra. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Mn(1), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(2)LiFe2B tetrahedra,  a cornercorner with one O(4)LiFe2B tetrahedra,  a cornercorner with one O(8)LiFe2B tetrahedra, corners with two equivalent O(7)Li2FeB tetrahedra, corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(5)LiMn2B tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, and  an edgeedge with one O(6)LiMn2B tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Mn(1), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(4)LiFe2B tetrahedra,  a cornercorner with one O(8)LiFe2B tetrahedra,  a cornercorner with one O(9)LiFe2B tetrahedra, corners with two equivalent O(1)Li2FeB tetrahedra, corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(5)LiMn2B tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, and  an edgeedge with one O(5)LiMn2B tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Li(3), one Fe(1), and one B(1) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(1)Li2FeB tetrahedra,  a cornercorner with one O(3)Li2MnB tetrahedra, corners with two equivalent O(7)Li2FeB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(8)LiFe2B tetrahedra, corners with two equivalent O(9)LiFe2B tetrahedra, and corners with two equivalent O(5)LiMn2B tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Fe(2), and one B(3) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(9)LiFe2B tetrahedra,  a cornercorner with one O(5)LiMn2B tetrahedra,  a cornercorner with one O(6)LiMn2B tetrahedra, corners with two equivalent O(1)Li2FeB tetrahedra, corners with two equivalent O(7)Li2FeB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(8)LiFe2B tetrahedra, and  an edgeedge with one O(2)LiFe2B tetrahedra. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Fe(1), and one B(3) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(2)LiFe2B tetrahedra,  a cornercorner with one O(8)LiFe2B tetrahedra,  a cornercorner with one O(6)LiMn2B tetrahedra, corners with two equivalent O(7)Li2FeB tetrahedra, corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(9)LiFe2B tetrahedra, and  an edgeedge with one O(4)LiFe2B tetrahedra. is represented by the CIF card [CIF]
data_Li3MnFe2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.158
_cell_length_b   8.224
_cell_length_c   8.237
_cell_angle_alpha   60.224
_cell_angle_beta   89.994
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   185.679
_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
  B  B0  1  1.000  0.002  0.998  1.0
  B  B1  1  0.500  0.667  0.664  1.0
  B  B2  1  0.500  0.331  0.336  1.0
  Fe  Fe3  1  0.000  0.360  0.633  1.0
  Fe  Fe4  1  0.000  0.008  0.360  1.0
  Li  Li5  1  0.500  0.716  0.301  1.0
  Li  Li6  1  0.500  0.984  0.715  1.0
  Li  Li7  1  0.500  0.301  0.984  1.0
  Mn  Mn8  1  1.000  0.626  0.013  1.0
  O  O9  1  1.000  0.892  0.192  1.0
  O  O10  1  0.500  0.861  0.557  1.0
  O  O11  1  1.000  0.920  0.886  1.0
  O  O12  1  0.500  0.558  0.578  1.0
  O  O13  1  0.500  0.581  0.858  1.0
  O  O14  1  0.500  0.526  0.223  1.0
  O  O15  1  0.000  0.197  0.916  1.0
  O  O16  1  0.500  0.217  0.255  1.0
  O  O17  1  0.500  0.252  0.530  1.0
[/CIF]
.
The material structure described by Li3MnFe2(BO3)3 crystallizes in the monoclinic Pm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Fe(1)O5 trigonal bipyramids, and corners with two equivalent Fe(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(2), one O(9), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Fe(1)O5 trigonal bipyramids, and corners with two equivalent Fe(2)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(5), one O(8), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Fe(1)O5 trigonal bipyramids, and corners with two equivalent Fe(2)O5 trigonal bipyramids. Mn(1) is bonded to one O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(7), two equivalent O(4), and two equivalent O(9) atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(8) atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Fe(2)O5 trigonal bipyramids. There are three 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(7) 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(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(6), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Fe(2), and one B(1) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(7)Li2FeB tetrahedra,  a cornercorner with one O(3)Li2MnB tetrahedra, corners with two equivalent O(1)Li2FeB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(8)LiFe2B tetrahedra, and corners with two equivalent O(6)LiMn2B tetrahedra. In the second O site, O(2) is bonded to one Li(2), two equivalent Fe(2), and one B(2) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(4)LiFe2B tetrahedra,  a cornercorner with one O(9)LiFe2B tetrahedra,  a cornercorner with one O(5)LiMn2B tetrahedra, corners with two equivalent O(1)Li2FeB tetrahedra, corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(8)LiFe2B tetrahedra, and  an edgeedge with one O(8)LiFe2B tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(2), one Mn(1), and one B(1) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(1)Li2FeB tetrahedra,  a cornercorner with one O(7)Li2FeB tetrahedra, corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(9)LiFe2B tetrahedra, corners with two equivalent O(5)LiMn2B tetrahedra, and corners with two equivalent O(6)LiMn2B tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Fe(1), and one B(2) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(2)LiFe2B tetrahedra,  a cornercorner with one O(5)LiMn2B tetrahedra,  a cornercorner with one O(6)LiMn2B tetrahedra, corners with two equivalent O(1)Li2FeB tetrahedra, corners with two equivalent O(7)Li2FeB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(9)LiFe2B tetrahedra, and  an edgeedge with one O(9)LiFe2B tetrahedra. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Mn(1), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(2)LiFe2B tetrahedra,  a cornercorner with one O(4)LiFe2B tetrahedra,  a cornercorner with one O(8)LiFe2B tetrahedra, corners with two equivalent O(7)Li2FeB tetrahedra, corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(5)LiMn2B tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, and  an edgeedge with one O(6)LiMn2B tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Mn(1), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(4)LiFe2B tetrahedra,  a cornercorner with one O(8)LiFe2B tetrahedra,  a cornercorner with one O(9)LiFe2B tetrahedra, corners with two equivalent O(1)Li2FeB tetrahedra, corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(5)LiMn2B tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, and  an edgeedge with one O(5)LiMn2B tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Li(3), one Fe(1), and one B(1) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(1)Li2FeB tetrahedra,  a cornercorner with one O(3)Li2MnB tetrahedra, corners with two equivalent O(7)Li2FeB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(8)LiFe2B tetrahedra, corners with two equivalent O(9)LiFe2B tetrahedra, and corners with two equivalent O(5)LiMn2B tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Fe(2), and one B(3) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(9)LiFe2B tetrahedra,  a cornercorner with one O(5)LiMn2B tetrahedra,  a cornercorner with one O(6)LiMn2B tetrahedra, corners with two equivalent O(1)Li2FeB tetrahedra, corners with two equivalent O(7)Li2FeB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(8)LiFe2B tetrahedra, and  an edgeedge with one O(2)LiFe2B tetrahedra. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Fe(1), and one B(3) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(2)LiFe2B tetrahedra,  a cornercorner with one O(8)LiFe2B tetrahedra,  a cornercorner with one O(6)LiMn2B tetrahedra, corners with two equivalent O(7)Li2FeB tetrahedra, corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(9)LiFe2B tetrahedra, and  an edgeedge with one O(4)LiFe2B tetrahedra. is represented by the CIF card [CIF]
data_Li3MnFe2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.158
_cell_length_b   8.224
_cell_length_c   8.237
_cell_angle_alpha   60.224
_cell_angle_beta   89.994
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   185.679
_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
  B  B0  1  1.000  0.002  0.998  1.0
  B  B1  1  0.500  0.667  0.664  1.0
  B  B2  1  0.500  0.331  0.336  1.0
  Fe  Fe3  1  0.000  0.360  0.633  1.0
  Fe  Fe4  1  0.000  0.008  0.360  1.0
  Li  Li5  1  0.500  0.716  0.301  1.0
  Li  Li6  1  0.500  0.984  0.715  1.0
  Li  Li7  1  0.500  0.301  0.984  1.0
  Mn  Mn8  1  1.000  0.626  0.013  1.0
  O  O9  1  1.000  0.892  0.192  1.0
  O  O10  1  0.500  0.861  0.557  1.0
  O  O11  1  1.000  0.920  0.886  1.0
  O  O12  1  0.500  0.558  0.578  1.0
  O  O13  1  0.500  0.581  0.858  1.0
  O  O14  1  0.500  0.526  0.223  1.0
  O  O15  1  0.000  0.197  0.916  1.0
  O  O16  1  0.500  0.217  0.255  1.0
  O  O17  1  0.500  0.252  0.530  1.0
[/CIF]
.