The material structure described by Li2Mn3(BO3)3 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(5), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(7)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(14), one O(6), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(8)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(19), one O(21), and one O(24) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(7)O5 trigonal bipyramid, and  a cornercorner with one Mn(8)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(2), one O(20), one O(21), and one O(22) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(7)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded to one O(12), one O(18), one O(25), and one O(27) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(8)O5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(11), one O(17), one O(25), and one O(26) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(7)O5 trigonal bipyramid. There are nine inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(22), one O(23), one O(27), one O(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(23), one O(24), one O(26), one O(4), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(22), one O(24), one O(25), one O(4), and one O(5) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(17), one O(18), one O(2), one O(3), and one O(7) atom. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(16), one O(17), one O(2), and one O(8) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(6)O5 square pyramid. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(16), one O(18), one O(3), and one O(9) atom to form MnO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(5)O5 square pyramid. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(11), one O(13), one O(15), and one O(21) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(8)O5 trigonal bipyramid. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(12), one O(14), one O(15), and one O(19) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the ninth Mn site, Mn(9) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(14), and one O(20) atom. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(21), one O(26), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(4) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(5) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(19), one O(27), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(12), one O(3), and one O(6) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(14), one O(16), and one O(23) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(13), one O(18), and one O(22) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(15), one O(17), and one O(24) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one O(20), one O(25), and one O(7) atom. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Mn(5), one Mn(6), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(21)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(17)LiMn2B tetrahedra,  a cornercorner with one O(18)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B tetrahedra, and  a cornercorner with one O(24)LiMn2B tetrahedra. In the second O site, O(2) is bonded to one Li(4), one Mn(4), one Mn(5), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(21)Li2MnB tetrahedra,  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(18)LiMn2B tetrahedra,  a cornercorner with one O(22)LiMn2B tetrahedra, and  an edgeedge with one O(17)LiMn2B tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(6), and one B(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(3), and one B(3) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one B(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(4), and one B(9) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(5), and one B(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Mn(6), and one B(4) atom to form distorted corner-sharing OLi2MnB tetrahedra. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(7), one Mn(8), and one B(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(6), one Mn(7), one Mn(9), and one B(3) atom. In the twelfth O site, O(12) is bonded to one Li(5), one Mn(8), one Mn(9), and one B(5) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(25)Li2MnB tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(18)LiMn2B tetrahedra, and  an edgeedge with one O(14)LiMn2B tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(1), one Mn(7), one Mn(9), and one B(7) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(21)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra,  a cornercorner with one O(18)LiMn2B tetrahedra, and  a cornercorner with one O(22)LiMn2B tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(2), one Mn(8), one Mn(9), and one B(6) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra, and  an edgeedge with one O(12)LiMn2B tetrahedra. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(7), one Mn(8), and one B(8) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(6), and one B(6) atom. In the seventeenth O site, O(17) is bonded to one Li(6), one Mn(4), one Mn(5), and one B(8) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(25)Li2MnB tetrahedra,  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(18)LiMn2B tetrahedra,  a cornercorner with one O(24)LiMn2B tetrahedra, and  an edgeedge with one O(2)LiMn2B tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(5), one Mn(4), one Mn(6), and one B(7) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(25)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(17)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B tetrahedra, and  a cornercorner with one O(22)LiMn2B tetrahedra. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Mn(8), and one B(4) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(9), and one B(9) atom. In the twenty-first O site, O(21) is bonded to one Li(3), one Li(4), one Mn(7), and one B(1) atom to form corner-sharing OLi2MnB tetrahedra. In the twenty-second O site, O(22) is bonded to one Li(4), one Mn(1), one Mn(3), and one B(7) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(21)Li2MnB tetrahedra,  a cornercorner with one O(25)Li2MnB tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(18)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B tetrahedra, and  a cornercorner with one O(24)LiMn2B tetrahedra. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one B(6) atom. In the twenty-fourth O site, O(24) is bonded to one Li(3), one Mn(2), one Mn(3), and one B(8) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(21)Li2MnB tetrahedra,  a cornercorner with one O(25)Li2MnB tetrahedra,  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(17)LiMn2B tetrahedra, and  a cornercorner with one O(22)LiMn2B tetrahedra. In the twenty-fifth O site, O(25) is bonded to one Li(5), one Li(6), one Mn(3), and one B(9) atom to form corner-sharing OLi2MnB tetrahedra. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(2), and one B(1) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(1), and one B(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.258
_cell_length_b   8.840
_cell_length_c   9.498
_cell_angle_alpha   111.470
_cell_angle_beta   89.520
_cell_angle_gamma   117.684
_symmetry_Int_Tables_number   1
_cell_volume   560.314
_cell_formula_units_Z   3
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  0.292  0.281  0.586  1.0
  Li  Li1  1  0.303  0.273  0.260  1.0
  Li  Li2  1  0.982  0.700  0.077  1.0
  Li  Li3  1  0.979  0.697  0.739  1.0
  Li  Li4  1  0.726  0.021  0.498  1.0
  Li  Li5  1  0.711  0.017  0.836  1.0
  Mn  Mn6  1  0.010  0.380  0.456  1.0
  Mn  Mn7  1  0.012  0.354  0.117  1.0
  Mn  Mn8  1  0.013  0.363  0.787  1.0
  Mn  Mn9  1  0.340  0.994  0.662  1.0
  Mn  Mn10  1  0.361  0.997  0.995  1.0
  Mn  Mn11  1  0.382  0.984  0.326  1.0
  Mn  Mn12  1  0.626  0.647  0.888  1.0
  Mn  Mn13  1  0.622  0.631  0.210  1.0
  Mn  Mn14  1  0.638  0.645  0.551  1.0
  B  B15  1  0.995  0.988  0.997  1.0
  B  B16  1  0.332  0.664  0.066  1.0
  B  B17  1  0.328  0.669  0.720  1.0
  B  B18  1  0.011  0.004  0.337  1.0
  B  B19  1  0.347  0.669  0.379  1.0
  B  B20  1  0.668  0.332  0.277  1.0
  B  B21  1  0.663  0.334  0.606  1.0
  B  B22  1  0.673  0.340  0.951  1.0
  B  B23  1  0.988  0.999  0.667  1.0
  O  O24  1  0.263  0.791  0.112  1.0
  O  O25  1  0.249  0.784  0.761  1.0
  O  O26  1  0.279  0.793  0.415  1.0
  O  O27  1  0.213  0.478  0.988  1.0
  O  O28  1  0.214  0.476  0.645  1.0
  O  O29  1  0.230  0.479  0.324  1.0
  O  O30  1  0.177  0.113  0.684  1.0
  O  O31  1  0.185  0.098  0.051  1.0
  O  O32  1  0.206  0.099  0.366  1.0
  O  O33  1  0.524  0.738  0.105  1.0
  O  O34  1  0.520  0.747  0.754  1.0
  O  O35  1  0.543  0.745  0.402  1.0
  O  O36  1  0.574  0.439  0.646  1.0
  O  O37  1  0.599  0.456  0.308  1.0
  O  O38  1  0.604  0.464  0.001  1.0
  O  O39  1  0.533  0.143  0.222  1.0
  O  O40  1  0.552  0.149  0.877  1.0
  O  O41  1  0.555  0.138  0.531  1.0
  O  O42  1  0.905  0.813  0.263  1.0
  O  O43  1  0.915  0.811  0.630  1.0
  O  O44  1  0.914  0.793  0.937  1.0
  O  O45  1  0.854  0.416  0.640  1.0
  O  O46  1  0.853  0.389  0.298  1.0
  O  O47  1  0.863  0.413  0.975  1.0
  O  O48  1  0.868  0.074  0.687  1.0
  O  O49  1  0.887  0.070  0.003  1.0
  O  O50  1  0.921  0.108  0.386  1.0
[/CIF]
.
The material structure described by Li2Mn3(BO3)3 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(5), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(7)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(14), one O(6), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(8)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(19), one O(21), and one O(24) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(7)O5 trigonal bipyramid, and  a cornercorner with one Mn(8)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(2), one O(20), one O(21), and one O(22) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(7)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded to one O(12), one O(18), one O(25), and one O(27) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(8)O5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(11), one O(17), one O(25), and one O(26) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(7)O5 trigonal bipyramid. There are nine inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(22), one O(23), one O(27), one O(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(23), one O(24), one O(26), one O(4), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(22), one O(24), one O(25), one O(4), and one O(5) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(17), one O(18), one O(2), one O(3), and one O(7) atom. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(16), one O(17), one O(2), and one O(8) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(6)O5 square pyramid. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(16), one O(18), one O(3), and one O(9) atom to form MnO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(5)O5 square pyramid. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(11), one O(13), one O(15), and one O(21) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(8)O5 trigonal bipyramid. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(12), one O(14), one O(15), and one O(19) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the ninth Mn site, Mn(9) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(14), and one O(20) atom. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(21), one O(26), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(4) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(5) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(19), one O(27), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(12), one O(3), and one O(6) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(14), one O(16), and one O(23) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(13), one O(18), and one O(22) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(15), one O(17), and one O(24) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one O(20), one O(25), and one O(7) atom. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Mn(5), one Mn(6), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(21)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(17)LiMn2B tetrahedra,  a cornercorner with one O(18)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B tetrahedra, and  a cornercorner with one O(24)LiMn2B tetrahedra. In the second O site, O(2) is bonded to one Li(4), one Mn(4), one Mn(5), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(21)Li2MnB tetrahedra,  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(18)LiMn2B tetrahedra,  a cornercorner with one O(22)LiMn2B tetrahedra, and  an edgeedge with one O(17)LiMn2B tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(6), and one B(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(3), and one B(3) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one B(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(4), and one B(9) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(5), and one B(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Mn(6), and one B(4) atom to form distorted corner-sharing OLi2MnB tetrahedra. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(7), one Mn(8), and one B(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(6), one Mn(7), one Mn(9), and one B(3) atom. In the twelfth O site, O(12) is bonded to one Li(5), one Mn(8), one Mn(9), and one B(5) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(25)Li2MnB tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(18)LiMn2B tetrahedra, and  an edgeedge with one O(14)LiMn2B tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(1), one Mn(7), one Mn(9), and one B(7) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(21)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra,  a cornercorner with one O(18)LiMn2B tetrahedra, and  a cornercorner with one O(22)LiMn2B tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(2), one Mn(8), one Mn(9), and one B(6) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra, and  an edgeedge with one O(12)LiMn2B tetrahedra. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(7), one Mn(8), and one B(8) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(6), and one B(6) atom. In the seventeenth O site, O(17) is bonded to one Li(6), one Mn(4), one Mn(5), and one B(8) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(25)Li2MnB tetrahedra,  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(18)LiMn2B tetrahedra,  a cornercorner with one O(24)LiMn2B tetrahedra, and  an edgeedge with one O(2)LiMn2B tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(5), one Mn(4), one Mn(6), and one B(7) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(25)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(17)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B tetrahedra, and  a cornercorner with one O(22)LiMn2B tetrahedra. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Mn(8), and one B(4) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(9), and one B(9) atom. In the twenty-first O site, O(21) is bonded to one Li(3), one Li(4), one Mn(7), and one B(1) atom to form corner-sharing OLi2MnB tetrahedra. In the twenty-second O site, O(22) is bonded to one Li(4), one Mn(1), one Mn(3), and one B(7) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(21)Li2MnB tetrahedra,  a cornercorner with one O(25)Li2MnB tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(18)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B tetrahedra, and  a cornercorner with one O(24)LiMn2B tetrahedra. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one B(6) atom. In the twenty-fourth O site, O(24) is bonded to one Li(3), one Mn(2), one Mn(3), and one B(8) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(21)Li2MnB tetrahedra,  a cornercorner with one O(25)Li2MnB tetrahedra,  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(17)LiMn2B tetrahedra, and  a cornercorner with one O(22)LiMn2B tetrahedra. In the twenty-fifth O site, O(25) is bonded to one Li(5), one Li(6), one Mn(3), and one B(9) atom to form corner-sharing OLi2MnB tetrahedra. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(2), and one B(1) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(1), and one B(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.258
_cell_length_b   8.840
_cell_length_c   9.498
_cell_angle_alpha   111.470
_cell_angle_beta   89.520
_cell_angle_gamma   117.684
_symmetry_Int_Tables_number   1
_cell_volume   560.314
_cell_formula_units_Z   3
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  0.292  0.281  0.586  1.0
  Li  Li1  1  0.303  0.273  0.260  1.0
  Li  Li2  1  0.982  0.700  0.077  1.0
  Li  Li3  1  0.979  0.697  0.739  1.0
  Li  Li4  1  0.726  0.021  0.498  1.0
  Li  Li5  1  0.711  0.017  0.836  1.0
  Mn  Mn6  1  0.010  0.380  0.456  1.0
  Mn  Mn7  1  0.012  0.354  0.117  1.0
  Mn  Mn8  1  0.013  0.363  0.787  1.0
  Mn  Mn9  1  0.340  0.994  0.662  1.0
  Mn  Mn10  1  0.361  0.997  0.995  1.0
  Mn  Mn11  1  0.382  0.984  0.326  1.0
  Mn  Mn12  1  0.626  0.647  0.888  1.0
  Mn  Mn13  1  0.622  0.631  0.210  1.0
  Mn  Mn14  1  0.638  0.645  0.551  1.0
  B  B15  1  0.995  0.988  0.997  1.0
  B  B16  1  0.332  0.664  0.066  1.0
  B  B17  1  0.328  0.669  0.720  1.0
  B  B18  1  0.011  0.004  0.337  1.0
  B  B19  1  0.347  0.669  0.379  1.0
  B  B20  1  0.668  0.332  0.277  1.0
  B  B21  1  0.663  0.334  0.606  1.0
  B  B22  1  0.673  0.340  0.951  1.0
  B  B23  1  0.988  0.999  0.667  1.0
  O  O24  1  0.263  0.791  0.112  1.0
  O  O25  1  0.249  0.784  0.761  1.0
  O  O26  1  0.279  0.793  0.415  1.0
  O  O27  1  0.213  0.478  0.988  1.0
  O  O28  1  0.214  0.476  0.645  1.0
  O  O29  1  0.230  0.479  0.324  1.0
  O  O30  1  0.177  0.113  0.684  1.0
  O  O31  1  0.185  0.098  0.051  1.0
  O  O32  1  0.206  0.099  0.366  1.0
  O  O33  1  0.524  0.738  0.105  1.0
  O  O34  1  0.520  0.747  0.754  1.0
  O  O35  1  0.543  0.745  0.402  1.0
  O  O36  1  0.574  0.439  0.646  1.0
  O  O37  1  0.599  0.456  0.308  1.0
  O  O38  1  0.604  0.464  0.001  1.0
  O  O39  1  0.533  0.143  0.222  1.0
  O  O40  1  0.552  0.149  0.877  1.0
  O  O41  1  0.555  0.138  0.531  1.0
  O  O42  1  0.905  0.813  0.263  1.0
  O  O43  1  0.915  0.811  0.630  1.0
  O  O44  1  0.914  0.793  0.937  1.0
  O  O45  1  0.854  0.416  0.640  1.0
  O  O46  1  0.853  0.389  0.298  1.0
  O  O47  1  0.863  0.413  0.975  1.0
  O  O48  1  0.868  0.074  0.687  1.0
  O  O49  1  0.887  0.070  0.003  1.0
  O  O50  1  0.921  0.108  0.386  1.0
[/CIF]
.