The compound described by Li2MnFe(BO3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with three equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(6) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with three equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. Mn(1) is bonded to one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 trigonal pyramid, corners with three equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. Fe(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(2) atoms to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 trigonal pyramid, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are two 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(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(2), two equivalent Fe(1), and one B(2) 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(2), one Mn(1), one Fe(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Fe(1), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Mn(1), and one B(2) atom. is represented by the CIF file [CIF]
data_Li2MnFe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.240
_cell_length_b   8.203
_cell_length_c   5.992
_cell_angle_alpha   77.133
_cell_angle_beta   89.014
_cell_angle_gamma   90.756
_symmetry_Int_Tables_number   1
_cell_volume   250.980
_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  0.655  0.279  0.045  1.0
  Li  Li1  1  0.845  0.222  0.455  1.0
  Li  Li2  1  0.151  0.778  0.545  1.0
  Li  Li3  1  0.349  0.722  0.955  1.0
  Mn  Mn4  1  0.329  0.079  0.683  1.0
  Mn  Mn5  1  0.171  0.421  0.817  1.0
  Fe  Fe6  1  0.838  0.584  0.178  1.0
  Fe  Fe7  1  0.662  0.917  0.322  1.0
  B  B8  1  0.171  0.093  0.168  1.0
  B  B9  1  0.329  0.407  0.332  1.0
  B  B10  1  0.673  0.596  0.664  1.0
  B  B11  1  0.827  0.904  0.836  1.0
  O  O12  1  0.912  0.116  0.181  1.0
  O  O13  1  0.588  0.384  0.319  1.0
  O  O14  1  0.678  0.810  0.018  1.0
  O  O15  1  0.822  0.690  0.482  1.0
  O  O16  1  0.206  0.521  0.160  1.0
  O  O17  1  0.293  0.979  0.340  1.0
  O  O18  1  0.181  0.312  0.512  1.0
  O  O19  1  0.319  0.188  0.988  1.0
  O  O20  1  0.712  0.018  0.662  1.0
  O  O21  1  0.788  0.482  0.838  1.0
  O  O22  1  0.414  0.624  0.673  1.0
  O  O23  1  0.086  0.876  0.827  1.0
[/CIF]
.
The compound described by Li2MnFe(BO3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with three equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(6) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with three equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. Mn(1) is bonded to one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 trigonal pyramid, corners with three equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. Fe(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(2) atoms to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 trigonal pyramid, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are two 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(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(2), two equivalent Fe(1), and one B(2) 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(2), one Mn(1), one Fe(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Fe(1), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Mn(1), and one B(2) atom. is represented by the CIF file [CIF]
data_Li2MnFe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.240
_cell_length_b   8.203
_cell_length_c   5.992
_cell_angle_alpha   77.133
_cell_angle_beta   89.014
_cell_angle_gamma   90.756
_symmetry_Int_Tables_number   1
_cell_volume   250.980
_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  0.655  0.279  0.045  1.0
  Li  Li1  1  0.845  0.222  0.455  1.0
  Li  Li2  1  0.151  0.778  0.545  1.0
  Li  Li3  1  0.349  0.722  0.955  1.0
  Mn  Mn4  1  0.329  0.079  0.683  1.0
  Mn  Mn5  1  0.171  0.421  0.817  1.0
  Fe  Fe6  1  0.838  0.584  0.178  1.0
  Fe  Fe7  1  0.662  0.917  0.322  1.0
  B  B8  1  0.171  0.093  0.168  1.0
  B  B9  1  0.329  0.407  0.332  1.0
  B  B10  1  0.673  0.596  0.664  1.0
  B  B11  1  0.827  0.904  0.836  1.0
  O  O12  1  0.912  0.116  0.181  1.0
  O  O13  1  0.588  0.384  0.319  1.0
  O  O14  1  0.678  0.810  0.018  1.0
  O  O15  1  0.822  0.690  0.482  1.0
  O  O16  1  0.206  0.521  0.160  1.0
  O  O17  1  0.293  0.979  0.340  1.0
  O  O18  1  0.181  0.312  0.512  1.0
  O  O19  1  0.319  0.188  0.988  1.0
  O  O20  1  0.712  0.018  0.662  1.0
  O  O21  1  0.788  0.482  0.838  1.0
  O  O22  1  0.414  0.624  0.673  1.0
  O  O23  1  0.086  0.876  0.827  1.0
[/CIF]
.