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(1), one O(4), and two equivalent O(3) 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 Mn(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(5), and two equivalent O(6) atoms 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(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. Mn(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, 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(1)O4 trigonal pyramid. Fe(1) is bonded to one O(1), one O(2), one O(6), and two equivalent O(5) atoms to form distorted FeO5 trigonal bipyramids that share corners with three equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. 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(4), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) 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 second O site, O(2) 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 third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one B(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), two equivalent 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 Fe(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Li2MnFe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.180
_cell_length_b   5.996
_cell_length_c   9.133
_cell_angle_alpha   104.103
_cell_angle_beta   89.902
_cell_angle_gamma   113.225
_symmetry_Int_Tables_number   1
_cell_volume   251.393
_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  0.254  0.675  0.186  1.0
  Li  Li1  1  0.246  0.325  0.314  1.0
  Li  Li2  1  0.757  0.678  0.689  1.0
  Li  Li3  1  0.743  0.322  0.811  1.0
  Mn  Mn4  1  0.713  0.234  0.123  1.0
  Mn  Mn5  1  0.787  0.766  0.377  1.0
  Fe  Fe6  1  0.216  0.240  0.630  1.0
  Fe  Fe7  1  0.286  0.761  0.870  1.0
  B  B8  1  0.772  0.736  0.037  1.0
  B  B9  1  0.728  0.264  0.463  1.0
  B  B10  1  0.274  0.742  0.541  1.0
  B  B11  1  0.225  0.258  0.959  1.0
  O  O12  1  0.553  0.819  0.061  1.0
  O  O13  1  0.947  0.181  0.439  1.0
  O  O14  1  0.061  0.830  0.569  1.0
  O  O15  1  0.439  0.170  0.931  1.0
  O  O16  1  0.361  0.703  0.397  1.0
  O  O17  1  0.139  0.297  0.103  1.0
  O  O18  1  0.883  0.679  0.155  1.0
  O  O19  1  0.617  0.321  0.345  1.0
  O  O20  1  0.389  0.684  0.657  1.0
  O  O21  1  0.111  0.315  0.842  1.0
  O  O22  1  0.868  0.702  0.896  1.0
  O  O23  1  0.631  0.298  0.604  1.0
[/CIF]
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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(1), one O(4), and two equivalent O(3) 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 Mn(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(5), and two equivalent O(6) atoms 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(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. Mn(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, 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(1)O4 trigonal pyramid. Fe(1) is bonded to one O(1), one O(2), one O(6), and two equivalent O(5) atoms to form distorted FeO5 trigonal bipyramids that share corners with three equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. 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(4), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) 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 second O site, O(2) 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 third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one B(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), two equivalent 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 Fe(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Li2MnFe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.180
_cell_length_b   5.996
_cell_length_c   9.133
_cell_angle_alpha   104.103
_cell_angle_beta   89.902
_cell_angle_gamma   113.225
_symmetry_Int_Tables_number   1
_cell_volume   251.393
_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  0.254  0.675  0.186  1.0
  Li  Li1  1  0.246  0.325  0.314  1.0
  Li  Li2  1  0.757  0.678  0.689  1.0
  Li  Li3  1  0.743  0.322  0.811  1.0
  Mn  Mn4  1  0.713  0.234  0.123  1.0
  Mn  Mn5  1  0.787  0.766  0.377  1.0
  Fe  Fe6  1  0.216  0.240  0.630  1.0
  Fe  Fe7  1  0.286  0.761  0.870  1.0
  B  B8  1  0.772  0.736  0.037  1.0
  B  B9  1  0.728  0.264  0.463  1.0
  B  B10  1  0.274  0.742  0.541  1.0
  B  B11  1  0.225  0.258  0.959  1.0
  O  O12  1  0.553  0.819  0.061  1.0
  O  O13  1  0.947  0.181  0.439  1.0
  O  O14  1  0.061  0.830  0.569  1.0
  O  O15  1  0.439  0.170  0.931  1.0
  O  O16  1  0.361  0.703  0.397  1.0
  O  O17  1  0.139  0.297  0.103  1.0
  O  O18  1  0.883  0.679  0.155  1.0
  O  O19  1  0.617  0.321  0.345  1.0
  O  O20  1  0.389  0.684  0.657  1.0
  O  O21  1  0.111  0.315  0.842  1.0
  O  O22  1  0.868  0.702  0.896  1.0
  O  O23  1  0.631  0.298  0.604  1.0
[/CIF]
.