The crystal structure described by Li2Mn3(BO3)3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(15), one O(2), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid, corners with two equivalent Li(2)O5 tetrahedra,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(16), one O(2), one O(3), and one O(5) atom to form distorted LiO5 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(13), one O(7), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(17), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(15), one O(16), and one O(9) atom to form distorted MnO5 square pyramids 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(2)O5 tetrahedra, and edges with two equivalent Mn(2)O5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(15), one O(16), and one O(9) atom to form distorted MnO5 square pyramids 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(2)O5 tetrahedra, and edges with two equivalent Mn(1)O5 square pyramids. In the third Mn site, Mn(3) is bonded to one O(13), one O(14), one O(2), 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(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Li(2)O5 tetrahedra, and edges with two equivalent Mn(4)O5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(13), one O(14), 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(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Li(2)O5 tetrahedra, and edges with two equivalent Mn(3)O5 trigonal bipyramids. In the fifth Mn site, Mn(5) is bonded to one O(17), one O(18), one O(3), one O(4), and one O(7) 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(2)O5 tetrahedra, and edges with two equivalent Mn(6)O5 square pyramids. In the sixth Mn site, Mn(6) is bonded to one O(17), one O(18), one O(3), one O(4), and one O(8) atom to form distorted MnO5 square pyramids 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(2)O5 tetrahedra, and edges with two equivalent Mn(5)O5 trigonal bipyramids. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(13), one O(16), and one O(17) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(18) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(8) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(4), and one B(5) atom to form OLi2MnB tetrahedra that share  a cornercorner with one O(6)LiMn2B tetrahedra, corners with two equivalent O(2)Li2MnB tetrahedra, and  a cornercorner with one O(15)LiMn2B trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Mn(3), and one B(6) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(6)LiMn2B tetrahedra, corners with two equivalent O(1)Li2MnB tetrahedra, and  a cornercorner with one O(15)LiMn2B trigonal pyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Mn(5), one Mn(6), 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 Mn(5), one Mn(6), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Mn(3), one Mn(4), and one B(1) atom. In the sixth O site, O(6) is bonded to one Li(4), one Mn(3), one Mn(4), and one B(2) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(5), and one B(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(6), and one B(6) atom. In the ninth O site, O(9) is bonded to one Li(3), one Mn(1), one Mn(2), and one B(1) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one B(2) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Li(4), one Mn(1), and one B(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Mn(2), and one B(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(3), one Mn(3), one Mn(4), and one B(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one B(4) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Mn(1), one Mn(2), and one B(4) atom to form distorted OLiMn2B trigonal pyramids that share  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(2)Li2MnB tetrahedra, and corners with two equivalent O(9)LiMn2B tetrahedra. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(2), and one B(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(4), one Mn(5), one Mn(6), and one B(3) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Mn(5), one Mn(6), and one B(4) atom. is represented by the CIF file [CIF]
data_Li2Mn3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.348
_cell_length_b   8.261
_cell_length_c   8.573
_cell_angle_alpha   117.337
_cell_angle_beta   107.575
_cell_angle_gamma   91.200
_symmetry_Int_Tables_number   1
_cell_volume   373.921
_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  0.102  0.021  0.723  1.0
  Li  Li1  1  0.615  0.029  0.725  1.0
  Li  Li2  1  0.387  0.273  0.297  1.0
  Li  Li3  1  0.241  0.700  0.983  1.0
  Mn  Mn4  1  0.334  0.629  0.622  1.0
  Mn  Mn5  1  0.835  0.629  0.626  1.0
  Mn  Mn6  1  0.987  0.374  0.027  1.0
  Mn  Mn7  1  0.496  0.375  0.019  1.0
  Mn  Mn8  1  0.687  0.991  0.337  1.0
  Mn  Mn9  1  0.188  0.989  0.369  1.0
  B  B10  1  0.580  0.321  0.657  1.0
  B  B11  1  0.104  0.340  0.680  1.0
  B  B12  1  0.413  0.668  0.343  1.0
  B  B13  1  0.923  0.685  0.341  1.0
  B  B14  1  0.476  0.996  0.979  1.0
  B  B15  1  0.002  0.989  0.999  1.0
  O  O16  1  0.420  0.085  0.872  1.0
  O  O17  1  0.932  0.085  0.899  1.0
  O  O18  1  0.500  0.129  0.531  1.0
  O  O19  1  0.028  0.150  0.565  1.0
  O  O20  1  0.675  0.376  0.842  1.0
  O  O21  1  0.184  0.418  0.873  1.0
  O  O22  1  0.562  0.101  0.171  1.0
  O  O23  1  0.107  0.091  0.194  1.0
  O  O24  1  0.558  0.437  0.578  1.0
  O  O25  1  0.097  0.457  0.603  1.0
  O  O26  1  0.441  0.804  0.893  1.0
  O  O27  1  0.980  0.800  0.906  1.0
  O  O28  1  0.323  0.480  0.242  1.0
  O  O29  1  0.812  0.505  0.228  1.0
  O  O30  1  0.043  0.753  0.530  1.0
  O  O31  1  0.524  0.750  0.539  1.0
  O  O32  1  0.390  0.779  0.259  1.0
  O  O33  1  0.914  0.804  0.263  1.0
[/CIF]
.
The crystal structure described by Li2Mn3(BO3)3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(15), one O(2), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid, corners with two equivalent Li(2)O5 tetrahedra,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(16), one O(2), one O(3), and one O(5) atom to form distorted LiO5 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(13), one O(7), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(17), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(15), one O(16), and one O(9) atom to form distorted MnO5 square pyramids 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(2)O5 tetrahedra, and edges with two equivalent Mn(2)O5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(15), one O(16), and one O(9) atom to form distorted MnO5 square pyramids 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(2)O5 tetrahedra, and edges with two equivalent Mn(1)O5 square pyramids. In the third Mn site, Mn(3) is bonded to one O(13), one O(14), one O(2), 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(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Li(2)O5 tetrahedra, and edges with two equivalent Mn(4)O5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(13), one O(14), 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(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Li(2)O5 tetrahedra, and edges with two equivalent Mn(3)O5 trigonal bipyramids. In the fifth Mn site, Mn(5) is bonded to one O(17), one O(18), one O(3), one O(4), and one O(7) 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(2)O5 tetrahedra, and edges with two equivalent Mn(6)O5 square pyramids. In the sixth Mn site, Mn(6) is bonded to one O(17), one O(18), one O(3), one O(4), and one O(8) atom to form distorted MnO5 square pyramids 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(2)O5 tetrahedra, and edges with two equivalent Mn(5)O5 trigonal bipyramids. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(13), one O(16), and one O(17) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(18) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(8) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(4), and one B(5) atom to form OLi2MnB tetrahedra that share  a cornercorner with one O(6)LiMn2B tetrahedra, corners with two equivalent O(2)Li2MnB tetrahedra, and  a cornercorner with one O(15)LiMn2B trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Mn(3), and one B(6) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(6)LiMn2B tetrahedra, corners with two equivalent O(1)Li2MnB tetrahedra, and  a cornercorner with one O(15)LiMn2B trigonal pyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Mn(5), one Mn(6), 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 Mn(5), one Mn(6), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Mn(3), one Mn(4), and one B(1) atom. In the sixth O site, O(6) is bonded to one Li(4), one Mn(3), one Mn(4), and one B(2) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(5), and one B(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(6), and one B(6) atom. In the ninth O site, O(9) is bonded to one Li(3), one Mn(1), one Mn(2), and one B(1) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one B(2) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Li(4), one Mn(1), and one B(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Mn(2), and one B(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(3), one Mn(3), one Mn(4), and one B(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one B(4) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Mn(1), one Mn(2), and one B(4) atom to form distorted OLiMn2B trigonal pyramids that share  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(2)Li2MnB tetrahedra, and corners with two equivalent O(9)LiMn2B tetrahedra. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(2), and one B(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(4), one Mn(5), one Mn(6), and one B(3) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Mn(5), one Mn(6), and one B(4) atom. is represented by the CIF file [CIF]
data_Li2Mn3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.348
_cell_length_b   8.261
_cell_length_c   8.573
_cell_angle_alpha   117.337
_cell_angle_beta   107.575
_cell_angle_gamma   91.200
_symmetry_Int_Tables_number   1
_cell_volume   373.921
_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  0.102  0.021  0.723  1.0
  Li  Li1  1  0.615  0.029  0.725  1.0
  Li  Li2  1  0.387  0.273  0.297  1.0
  Li  Li3  1  0.241  0.700  0.983  1.0
  Mn  Mn4  1  0.334  0.629  0.622  1.0
  Mn  Mn5  1  0.835  0.629  0.626  1.0
  Mn  Mn6  1  0.987  0.374  0.027  1.0
  Mn  Mn7  1  0.496  0.375  0.019  1.0
  Mn  Mn8  1  0.687  0.991  0.337  1.0
  Mn  Mn9  1  0.188  0.989  0.369  1.0
  B  B10  1  0.580  0.321  0.657  1.0
  B  B11  1  0.104  0.340  0.680  1.0
  B  B12  1  0.413  0.668  0.343  1.0
  B  B13  1  0.923  0.685  0.341  1.0
  B  B14  1  0.476  0.996  0.979  1.0
  B  B15  1  0.002  0.989  0.999  1.0
  O  O16  1  0.420  0.085  0.872  1.0
  O  O17  1  0.932  0.085  0.899  1.0
  O  O18  1  0.500  0.129  0.531  1.0
  O  O19  1  0.028  0.150  0.565  1.0
  O  O20  1  0.675  0.376  0.842  1.0
  O  O21  1  0.184  0.418  0.873  1.0
  O  O22  1  0.562  0.101  0.171  1.0
  O  O23  1  0.107  0.091  0.194  1.0
  O  O24  1  0.558  0.437  0.578  1.0
  O  O25  1  0.097  0.457  0.603  1.0
  O  O26  1  0.441  0.804  0.893  1.0
  O  O27  1  0.980  0.800  0.906  1.0
  O  O28  1  0.323  0.480  0.242  1.0
  O  O29  1  0.812  0.505  0.228  1.0
  O  O30  1  0.043  0.753  0.530  1.0
  O  O31  1  0.524  0.750  0.539  1.0
  O  O32  1  0.390  0.779  0.259  1.0
  O  O33  1  0.914  0.804  0.263  1.0
[/CIF]
.