The material structure described by LiMn2(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(10), one O(3), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Mn(3)O5 trigonal bipyramids, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(5), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(3), and two equivalent O(6) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(2), and two equivalent O(9) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), 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 Li(2)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(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(1), one O(3), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), 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(2), one O(7), and one O(8) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one B(3) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Mn(4), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) 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(3) atom. In the eighth O site, O(8) is bonded to one Li(2), one Mn(1), one Mn(4), and one B(3) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), two equivalent Mn(3), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2B tetrahedra. In the tenth O site, O(10) is bonded to one Li(1), one Mn(2), one Mn(4), and one B(4) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Mn(4), 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(3), and one B(4) atom. is represented by the CIF file [CIF]
data_LiMn2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.819
_cell_length_b   9.230
_cell_length_c   9.874
_cell_angle_alpha   80.329
_cell_angle_beta   80.645
_cell_angle_gamma   75.415
_symmetry_Int_Tables_number   1
_cell_volume   501.941
_cell_formula_units_Z   4
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  0.285  0.807  0.885  1.0
  Li  Li1  1  0.715  0.193  0.115  1.0
  Li  Li2  1  0.443  0.691  0.366  1.0
  Li  Li3  1  0.557  0.309  0.634  1.0
  Mn  Mn4  1  0.889  0.409  0.862  1.0
  Mn  Mn5  1  0.876  0.099  0.376  1.0
  Mn  Mn6  1  0.345  0.130  0.896  1.0
  Mn  Mn7  1  0.111  0.591  0.138  1.0
  Mn  Mn8  1  0.380  0.357  0.375  1.0
  Mn  Mn9  1  0.124  0.901  0.624  1.0
  Mn  Mn10  1  0.655  0.870  0.104  1.0
  Mn  Mn11  1  0.620  0.643  0.625  1.0
  B  B12  1  0.884  0.055  0.873  1.0
  B  B13  1  0.845  0.443  0.393  1.0
  B  B14  1  0.364  0.472  0.881  1.0
  B  B15  1  0.116  0.945  0.127  1.0
  B  B16  1  0.404  0.027  0.351  1.0
  B  B17  1  0.155  0.557  0.607  1.0
  B  B18  1  0.636  0.528  0.119  1.0
  B  B19  1  0.596  0.973  0.649  1.0
  O  O20  1  0.001  0.173  0.848  1.0
  O  O21  1  0.769  0.640  0.091  1.0
  O  O22  1  0.025  0.078  0.179  1.0
  O  O23  1  0.747  0.579  0.439  1.0
  O  O24  1  0.975  0.922  0.821  1.0
  O  O25  1  0.055  0.425  0.298  1.0
  O  O26  1  0.801  0.946  0.551  1.0
  O  O27  1  0.231  0.360  0.909  1.0
  O  O28  1  0.999  0.827  0.152  1.0
  O  O29  1  0.199  0.054  0.449  1.0
  O  O30  1  0.945  0.575  0.702  1.0
  O  O31  1  0.291  0.600  0.941  1.0
  O  O32  1  0.253  0.421  0.561  1.0
  O  O33  1  0.570  0.447  0.782  1.0
  O  O34  1  0.324  0.927  0.028  1.0
  O  O35  1  0.531  0.143  0.314  1.0
  O  O36  1  0.267  0.679  0.571  1.0
  O  O37  1  0.676  0.073  0.972  1.0
  O  O38  1  0.430  0.553  0.218  1.0
  O  O39  1  0.521  0.105  0.701  1.0
  O  O40  1  0.709  0.400  0.059  1.0
  O  O41  1  0.479  0.895  0.299  1.0
  O  O42  1  0.733  0.321  0.429  1.0
  O  O43  1  0.469  0.857  0.686  1.0
[/CIF]
.
The material structure described by LiMn2(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(10), one O(3), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Mn(3)O5 trigonal bipyramids, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(5), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(3), and two equivalent O(6) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(2), and two equivalent O(9) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), 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 Li(2)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(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(1), one O(3), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), 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(2), one O(7), and one O(8) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one B(3) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Mn(4), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) 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(3) atom. In the eighth O site, O(8) is bonded to one Li(2), one Mn(1), one Mn(4), and one B(3) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), two equivalent Mn(3), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2B tetrahedra. In the tenth O site, O(10) is bonded to one Li(1), one Mn(2), one Mn(4), and one B(4) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Mn(4), 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(3), and one B(4) atom. is represented by the CIF file [CIF]
data_LiMn2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.819
_cell_length_b   9.230
_cell_length_c   9.874
_cell_angle_alpha   80.329
_cell_angle_beta   80.645
_cell_angle_gamma   75.415
_symmetry_Int_Tables_number   1
_cell_volume   501.941
_cell_formula_units_Z   4
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  0.285  0.807  0.885  1.0
  Li  Li1  1  0.715  0.193  0.115  1.0
  Li  Li2  1  0.443  0.691  0.366  1.0
  Li  Li3  1  0.557  0.309  0.634  1.0
  Mn  Mn4  1  0.889  0.409  0.862  1.0
  Mn  Mn5  1  0.876  0.099  0.376  1.0
  Mn  Mn6  1  0.345  0.130  0.896  1.0
  Mn  Mn7  1  0.111  0.591  0.138  1.0
  Mn  Mn8  1  0.380  0.357  0.375  1.0
  Mn  Mn9  1  0.124  0.901  0.624  1.0
  Mn  Mn10  1  0.655  0.870  0.104  1.0
  Mn  Mn11  1  0.620  0.643  0.625  1.0
  B  B12  1  0.884  0.055  0.873  1.0
  B  B13  1  0.845  0.443  0.393  1.0
  B  B14  1  0.364  0.472  0.881  1.0
  B  B15  1  0.116  0.945  0.127  1.0
  B  B16  1  0.404  0.027  0.351  1.0
  B  B17  1  0.155  0.557  0.607  1.0
  B  B18  1  0.636  0.528  0.119  1.0
  B  B19  1  0.596  0.973  0.649  1.0
  O  O20  1  0.001  0.173  0.848  1.0
  O  O21  1  0.769  0.640  0.091  1.0
  O  O22  1  0.025  0.078  0.179  1.0
  O  O23  1  0.747  0.579  0.439  1.0
  O  O24  1  0.975  0.922  0.821  1.0
  O  O25  1  0.055  0.425  0.298  1.0
  O  O26  1  0.801  0.946  0.551  1.0
  O  O27  1  0.231  0.360  0.909  1.0
  O  O28  1  0.999  0.827  0.152  1.0
  O  O29  1  0.199  0.054  0.449  1.0
  O  O30  1  0.945  0.575  0.702  1.0
  O  O31  1  0.291  0.600  0.941  1.0
  O  O32  1  0.253  0.421  0.561  1.0
  O  O33  1  0.570  0.447  0.782  1.0
  O  O34  1  0.324  0.927  0.028  1.0
  O  O35  1  0.531  0.143  0.314  1.0
  O  O36  1  0.267  0.679  0.571  1.0
  O  O37  1  0.676  0.073  0.972  1.0
  O  O38  1  0.430  0.553  0.218  1.0
  O  O39  1  0.521  0.105  0.701  1.0
  O  O40  1  0.709  0.400  0.059  1.0
  O  O41  1  0.479  0.895  0.299  1.0
  O  O42  1  0.733  0.321  0.429  1.0
  O  O43  1  0.469  0.857  0.686  1.0
[/CIF]
.