The material structure described by Li3Mn2Fe(BO3)4 crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(3), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(3), one O(4), and one O(8) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(4), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(6), one O(7), and one O(9) atom. In the second Mn site, Mn(2) is bonded to one O(11), one O(2), one O(4), one O(5), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. Fe(1) is bonded to one O(10), one O(2), one O(3), one O(6), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(8), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(3), one Mn(1), and one B(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Fe(1), and one B(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Fe(1), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one Mn(2), and one B(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one B(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Fe(1), and one B(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one B(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one B(2) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one Li(1), one Mn(1), one Fe(1), and one B(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), one Fe(1), and one B(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one B(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn2Fe(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.182
_cell_length_b   5.229
_cell_length_c   10.639
_cell_angle_alpha   65.318
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   464.137
_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  0.227  0.492  0.346  1.0
  Li  Li1  1  0.239  0.918  0.883  1.0
  Li  Li2  1  0.732  0.500  0.167  1.0
  Li  Li3  1  0.761  0.918  0.383  1.0
  Li  Li4  1  0.773  0.492  0.846  1.0
  Li  Li5  1  0.268  0.500  0.667  1.0
  Mn  Mn6  1  0.558  0.975  0.880  1.0
  Mn  Mn7  1  0.075  0.023  0.625  1.0
  Mn  Mn8  1  0.442  0.975  0.380  1.0
  Mn  Mn9  1  0.925  0.023  0.125  1.0
  Fe  Fe10  1  0.737  0.070  0.611  1.0
  Fe  Fe11  1  0.263  0.070  0.111  1.0
  B  B12  1  0.558  0.436  0.393  1.0
  B  B13  1  0.906  0.983  0.860  1.0
  B  B14  1  0.068  0.563  0.111  1.0
  B  B15  1  0.402  0.026  0.633  1.0
  B  B16  1  0.094  0.983  0.360  1.0
  B  B17  1  0.442  0.436  0.893  1.0
  B  B18  1  0.598  0.026  0.133  1.0
  B  B19  1  0.932  0.563  0.611  1.0
  O  O20  1  0.600  0.832  0.075  1.0
  O  O21  1  0.907  0.312  0.597  1.0
  O  O22  1  0.187  0.734  0.103  1.0
  O  O23  1  0.279  0.143  0.658  1.0
  O  O24  1  0.931  0.633  0.134  1.0
  O  O25  1  0.537  0.097  0.675  1.0
  O  O26  1  0.423  0.361  0.364  1.0
  O  O27  1  0.038  0.914  0.820  1.0
  O  O28  1  0.776  0.890  0.825  1.0
  O  O29  1  0.673  0.245  0.416  1.0
  O  O30  1  0.100  0.158  0.429  1.0
  O  O31  1  0.416  0.688  0.898  1.0
  O  O32  1  0.093  0.312  0.097  1.0
  O  O33  1  0.400  0.832  0.575  1.0
  O  O34  1  0.721  0.143  0.158  1.0
  O  O35  1  0.463  0.097  0.175  1.0
  O  O36  1  0.813  0.734  0.603  1.0
  O  O37  1  0.069  0.633  0.634  1.0
  O  O38  1  0.962  0.914  0.320  1.0
  O  O39  1  0.224  0.890  0.325  1.0
  O  O40  1  0.577  0.361  0.864  1.0
  O  O41  1  0.327  0.245  0.916  1.0
  O  O42  1  0.584  0.688  0.398  1.0
  O  O43  1  0.900  0.158  0.929  1.0
[/CIF]
.
The material structure described by Li3Mn2Fe(BO3)4 crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(3), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(3), one O(4), and one O(8) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(4), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(6), one O(7), and one O(9) atom. In the second Mn site, Mn(2) is bonded to one O(11), one O(2), one O(4), one O(5), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. Fe(1) is bonded to one O(10), one O(2), one O(3), one O(6), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(8), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(3), one Mn(1), and one B(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Fe(1), and one B(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Fe(1), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one Mn(2), and one B(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one B(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Fe(1), and one B(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one B(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one B(2) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one Li(1), one Mn(1), one Fe(1), and one B(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), one Fe(1), and one B(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one B(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn2Fe(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.182
_cell_length_b   5.229
_cell_length_c   10.639
_cell_angle_alpha   65.318
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   464.137
_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  0.227  0.492  0.346  1.0
  Li  Li1  1  0.239  0.918  0.883  1.0
  Li  Li2  1  0.732  0.500  0.167  1.0
  Li  Li3  1  0.761  0.918  0.383  1.0
  Li  Li4  1  0.773  0.492  0.846  1.0
  Li  Li5  1  0.268  0.500  0.667  1.0
  Mn  Mn6  1  0.558  0.975  0.880  1.0
  Mn  Mn7  1  0.075  0.023  0.625  1.0
  Mn  Mn8  1  0.442  0.975  0.380  1.0
  Mn  Mn9  1  0.925  0.023  0.125  1.0
  Fe  Fe10  1  0.737  0.070  0.611  1.0
  Fe  Fe11  1  0.263  0.070  0.111  1.0
  B  B12  1  0.558  0.436  0.393  1.0
  B  B13  1  0.906  0.983  0.860  1.0
  B  B14  1  0.068  0.563  0.111  1.0
  B  B15  1  0.402  0.026  0.633  1.0
  B  B16  1  0.094  0.983  0.360  1.0
  B  B17  1  0.442  0.436  0.893  1.0
  B  B18  1  0.598  0.026  0.133  1.0
  B  B19  1  0.932  0.563  0.611  1.0
  O  O20  1  0.600  0.832  0.075  1.0
  O  O21  1  0.907  0.312  0.597  1.0
  O  O22  1  0.187  0.734  0.103  1.0
  O  O23  1  0.279  0.143  0.658  1.0
  O  O24  1  0.931  0.633  0.134  1.0
  O  O25  1  0.537  0.097  0.675  1.0
  O  O26  1  0.423  0.361  0.364  1.0
  O  O27  1  0.038  0.914  0.820  1.0
  O  O28  1  0.776  0.890  0.825  1.0
  O  O29  1  0.673  0.245  0.416  1.0
  O  O30  1  0.100  0.158  0.429  1.0
  O  O31  1  0.416  0.688  0.898  1.0
  O  O32  1  0.093  0.312  0.097  1.0
  O  O33  1  0.400  0.832  0.575  1.0
  O  O34  1  0.721  0.143  0.158  1.0
  O  O35  1  0.463  0.097  0.175  1.0
  O  O36  1  0.813  0.734  0.603  1.0
  O  O37  1  0.069  0.633  0.634  1.0
  O  O38  1  0.962  0.914  0.320  1.0
  O  O39  1  0.224  0.890  0.325  1.0
  O  O40  1  0.577  0.361  0.864  1.0
  O  O41  1  0.327  0.245  0.916  1.0
  O  O42  1  0.584  0.688  0.398  1.0
  O  O43  1  0.900  0.158  0.929  1.0
[/CIF]
.