The material structure described by Li2Mn3(BO3)3 crystallizes in the monoclinic Pm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(12), one O(5), and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(14), one O(9), and two equivalent O(15) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the fourth Li site, Li(4) is bonded to one O(13), one O(7), and two equivalent O(15) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O5 trigonal bipyramids. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(14), one O(2), one O(4), 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(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(15), and one O(8) 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(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(5), one O(7), 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(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and edges with two equivalent Mn(3)O5 square pyramids. There are five inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(12), one O(4), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(13), one O(3), 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(14), and one O(5) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(1), one O(15), and one O(6) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one B(5) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2B tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mn(3) and one B(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one B(2) atom. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(3), and one B(4) atom to form a mixture of distorted corner and edge-sharing OLiMn2B tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one B(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Mn(3), and one B(1) atom. In the eighth O site, O(8) is bonded to one Li(1), two equivalent Mn(2), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B tetrahedra, corners with two equivalent O(15)Li2MnB tetrahedra, and corners with two equivalent O(12)LiMn2B tetrahedra. In the ninth O site, O(9) is bonded to one Li(3), two equivalent Mn(3), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra, corners with two equivalent O(15)Li2MnB tetrahedra, and  an edgeedge with one O(5)LiMn2B tetrahedra. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Mn(2) and one B(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(2) and one B(1) atom. In the twelfth O site, O(12) is bonded to one Li(2), two equivalent Mn(2), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(5)LiMn2B tetrahedra,  a cornercorner with one O(9)LiMn2B tetrahedra, corners with two equivalent O(15)Li2MnB tetrahedra, and corners with two equivalent O(8)LiMn2B tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(4), two equivalent Mn(1), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(8)LiMn2B tetrahedra, corners with two equivalent O(15)Li2MnB tetrahedra, corners with two equivalent O(14)LiMn2B tetrahedra, and  an edgeedge with one O(2)LiMn2B tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(3), two equivalent Mn(1), and one B(4) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(5)LiMn2B tetrahedra,  a cornercorner with one O(9)LiMn2B tetrahedra, corners with two equivalent O(15)Li2MnB tetrahedra, corners with two equivalent O(13)LiMn2B tetrahedra, and corners with two equivalent O(2)LiMn2B tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(4), one Mn(2), and one B(5) atom to form OLi2MnB tetrahedra that share  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra,  a cornercorner with one O(9)LiMn2B tetrahedra, and corners with two equivalent O(15)Li2MnB tetrahedra. is represented by the CIF card [CIF]
data_Li2Mn3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.348
_cell_length_b   8.235
_cell_length_c   8.292
_cell_angle_alpha   60.401
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   376.935
_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  0.500  0.724  0.300  1.0
  Li  Li1  1  0.000  0.977  0.724  1.0
  Li  Li2  1  0.000  0.302  0.978  1.0
  Li  Li3  1  0.500  0.303  0.980  1.0
  Mn  Mn4  1  0.751  0.637  0.013  1.0
  Mn  Mn5  1  0.249  0.637  0.013  1.0
  Mn  Mn6  1  0.750  0.358  0.621  1.0
  Mn  Mn7  1  0.250  0.358  0.621  1.0
  Mn  Mn8  1  0.251  0.002  0.370  1.0
  Mn  Mn9  1  0.749  0.002  0.370  1.0
  B  B10  1  0.500  0.341  0.327  1.0
  B  B11  1  0.000  0.321  0.333  1.0
  B  B12  1  0.500  0.664  0.665  1.0
  B  B13  1  0.000  0.656  0.676  1.0
  B  B14  1  0.251  0.008  1.000  1.0
  B  B15  1  0.749  0.008  1.000  1.0
  O  O16  1  0.269  0.905  0.191  1.0
  O  O17  1  0.731  0.905  0.191  1.0
  O  O18  1  0.500  0.536  0.213  1.0
  O  O19  1  0.500  0.855  0.541  1.0
  O  O20  1  0.000  0.509  0.218  1.0
  O  O21  1  0.000  0.849  0.562  1.0
  O  O22  1  0.233  0.918  0.898  1.0
  O  O23  1  0.767  0.918  0.898  1.0
  O  O24  1  0.500  0.225  0.251  1.0
  O  O25  1  0.500  0.548  0.587  1.0
  O  O26  1  0.000  0.199  0.258  1.0
  O  O27  1  0.000  0.533  0.609  1.0
  O  O28  1  0.500  0.266  0.518  1.0
  O  O29  1  0.000  0.243  0.526  1.0
  O  O30  1  0.500  0.590  0.855  1.0
  O  O31  1  0.000  0.584  0.867  1.0
  O  O32  1  0.750  0.203  0.911  1.0
  O  O33  1  0.250  0.203  0.911  1.0
[/CIF]
.
The material structure described by Li2Mn3(BO3)3 crystallizes in the monoclinic Pm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(12), one O(5), and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(14), one O(9), and two equivalent O(15) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the fourth Li site, Li(4) is bonded to one O(13), one O(7), and two equivalent O(15) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O5 trigonal bipyramids. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(14), one O(2), one O(4), 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(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(15), and one O(8) 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(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(5), one O(7), 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(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and edges with two equivalent Mn(3)O5 square pyramids. There are five inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(12), one O(4), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(13), one O(3), 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(14), and one O(5) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(1), one O(15), and one O(6) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one B(5) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2B tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mn(3) and one B(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one B(2) atom. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(3), and one B(4) atom to form a mixture of distorted corner and edge-sharing OLiMn2B tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one B(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Mn(3), and one B(1) atom. In the eighth O site, O(8) is bonded to one Li(1), two equivalent Mn(2), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B tetrahedra, corners with two equivalent O(15)Li2MnB tetrahedra, and corners with two equivalent O(12)LiMn2B tetrahedra. In the ninth O site, O(9) is bonded to one Li(3), two equivalent Mn(3), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra, corners with two equivalent O(15)Li2MnB tetrahedra, and  an edgeedge with one O(5)LiMn2B tetrahedra. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Mn(2) and one B(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(2) and one B(1) atom. In the twelfth O site, O(12) is bonded to one Li(2), two equivalent Mn(2), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(5)LiMn2B tetrahedra,  a cornercorner with one O(9)LiMn2B tetrahedra, corners with two equivalent O(15)Li2MnB tetrahedra, and corners with two equivalent O(8)LiMn2B tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(4), two equivalent Mn(1), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(8)LiMn2B tetrahedra, corners with two equivalent O(15)Li2MnB tetrahedra, corners with two equivalent O(14)LiMn2B tetrahedra, and  an edgeedge with one O(2)LiMn2B tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(3), two equivalent Mn(1), and one B(4) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(5)LiMn2B tetrahedra,  a cornercorner with one O(9)LiMn2B tetrahedra, corners with two equivalent O(15)Li2MnB tetrahedra, corners with two equivalent O(13)LiMn2B tetrahedra, and corners with two equivalent O(2)LiMn2B tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(4), one Mn(2), and one B(5) atom to form OLi2MnB tetrahedra that share  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra,  a cornercorner with one O(9)LiMn2B tetrahedra, and corners with two equivalent O(15)Li2MnB tetrahedra. is represented by the CIF card [CIF]
data_Li2Mn3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.348
_cell_length_b   8.235
_cell_length_c   8.292
_cell_angle_alpha   60.401
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   376.935
_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  0.500  0.724  0.300  1.0
  Li  Li1  1  0.000  0.977  0.724  1.0
  Li  Li2  1  0.000  0.302  0.978  1.0
  Li  Li3  1  0.500  0.303  0.980  1.0
  Mn  Mn4  1  0.751  0.637  0.013  1.0
  Mn  Mn5  1  0.249  0.637  0.013  1.0
  Mn  Mn6  1  0.750  0.358  0.621  1.0
  Mn  Mn7  1  0.250  0.358  0.621  1.0
  Mn  Mn8  1  0.251  0.002  0.370  1.0
  Mn  Mn9  1  0.749  0.002  0.370  1.0
  B  B10  1  0.500  0.341  0.327  1.0
  B  B11  1  0.000  0.321  0.333  1.0
  B  B12  1  0.500  0.664  0.665  1.0
  B  B13  1  0.000  0.656  0.676  1.0
  B  B14  1  0.251  0.008  1.000  1.0
  B  B15  1  0.749  0.008  1.000  1.0
  O  O16  1  0.269  0.905  0.191  1.0
  O  O17  1  0.731  0.905  0.191  1.0
  O  O18  1  0.500  0.536  0.213  1.0
  O  O19  1  0.500  0.855  0.541  1.0
  O  O20  1  0.000  0.509  0.218  1.0
  O  O21  1  0.000  0.849  0.562  1.0
  O  O22  1  0.233  0.918  0.898  1.0
  O  O23  1  0.767  0.918  0.898  1.0
  O  O24  1  0.500  0.225  0.251  1.0
  O  O25  1  0.500  0.548  0.587  1.0
  O  O26  1  0.000  0.199  0.258  1.0
  O  O27  1  0.000  0.533  0.609  1.0
  O  O28  1  0.500  0.266  0.518  1.0
  O  O29  1  0.000  0.243  0.526  1.0
  O  O30  1  0.500  0.590  0.855  1.0
  O  O31  1  0.000  0.584  0.867  1.0
  O  O32  1  0.750  0.203  0.911  1.0
  O  O33  1  0.250  0.203  0.911  1.0
[/CIF]
.