The material structure described by Li2MnFe(BO3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with three equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with three equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. 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(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), 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 4-coordinate geometry to one Li(1), one Mn(1), one Fe(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Fe(1), and one B(1) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one B(1) atom. In the fourth O site, O(4) 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 fifth O site, O(5) is bonded to one Li(2), one Mn(1), one Fe(1), and one B(2) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Fe(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   5.163
_cell_length_b   5.235
_cell_length_c   6.031
_cell_angle_alpha   91.008
_cell_angle_beta   113.131
_cell_angle_gamma   119.228
_symmetry_Int_Tables_number   1
_cell_volume   126.294
_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  0.189  0.923  0.262  1.0
  B  B1  1  0.810  0.076  0.739  1.0
  Fe  Fe2  1  0.161  0.743  0.763  1.0
  Li  Li3  1  0.563  0.630  0.328  1.0
  Li  Li4  1  0.441  0.375  0.674  1.0
  Mn  Mn5  1  0.835  0.250  0.230  1.0
  O  O6  1  0.963  0.693  0.323  1.0
  O  O7  1  0.373  0.866  0.172  1.0
  O  O8  1  0.244  0.211  0.299  1.0
  O  O9  1  0.765  0.794  0.705  1.0
  O  O10  1  0.614  0.126  0.821  1.0
  O  O11  1  0.041  0.314  0.686  1.0
[/CIF]
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The material structure described by Li2MnFe(BO3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with three equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with three equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. 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(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), 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 4-coordinate geometry to one Li(1), one Mn(1), one Fe(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Fe(1), and one B(1) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one B(1) atom. In the fourth O site, O(4) 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 fifth O site, O(5) is bonded to one Li(2), one Mn(1), one Fe(1), and one B(2) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Fe(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   5.163
_cell_length_b   5.235
_cell_length_c   6.031
_cell_angle_alpha   91.008
_cell_angle_beta   113.131
_cell_angle_gamma   119.228
_symmetry_Int_Tables_number   1
_cell_volume   126.294
_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  0.189  0.923  0.262  1.0
  B  B1  1  0.810  0.076  0.739  1.0
  Fe  Fe2  1  0.161  0.743  0.763  1.0
  Li  Li3  1  0.563  0.630  0.328  1.0
  Li  Li4  1  0.441  0.375  0.674  1.0
  Mn  Mn5  1  0.835  0.250  0.230  1.0
  O  O6  1  0.963  0.693  0.323  1.0
  O  O7  1  0.373  0.866  0.172  1.0
  O  O8  1  0.244  0.211  0.299  1.0
  O  O9  1  0.765  0.794  0.705  1.0
  O  O10  1  0.614  0.126  0.821  1.0
  O  O11  1  0.041  0.314  0.686  1.0
[/CIF]
.