The material described by Li2Mn3(BO3)3 crystallizes in the trigonal P3_2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O5 square pyramids,  a cornercorner with one Li(2)O4 tetrahedra, and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O5 square pyramids,  a cornercorner with one Li(1)O4 tetrahedra, 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(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted MnO5 square pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 square pyramid. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and one O(9) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(3), and one B(3) atom. In the second O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one B(3) atom. In the third O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one B(3) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one B(1) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one B(1) atom. In the sixth O site, O(3) is bonded to one Li(1), one Li(2), one Mn(2), and one B(1) atom to form corner-sharing OLi2MnB tetrahedra. In the seventh O site, O(4) is bonded to one Li(2), one Mn(2), one Mn(3), and one B(2) atom to form distorted OLiMn2B tetrahedra that share corners with two equivalent O(3)Li2MnB tetrahedra and corners with two equivalent O(5)LiMn2B tetrahedra. In the eighth O site, O(5) is bonded to one Li(1), one Mn(1), one Mn(3), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(3)Li2MnB tetrahedra and corners with two equivalent O(4)LiMn2B tetrahedra. In the ninth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one B(2) 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   8.251
_cell_length_b   8.251
_cell_length_c   9.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   558.237
_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  0.297  0.288  0.167  1.0
  Li  Li1  1  0.294  0.268  0.499  1.0
  Li  Li2  1  0.974  0.706  0.833  1.0
  Li  Li3  1  0.990  0.703  0.501  1.0
  Li  Li4  1  0.732  0.026  0.166  1.0
  Li  Li5  1  0.712  0.010  0.834  1.0
  Mn  Mn6  1  0.006  0.371  0.336  1.0
  Mn  Mn7  1  0.016  0.396  0.002  1.0
  Mn  Mn8  1  0.004  0.346  0.670  1.0
  Mn  Mn9  1  0.343  0.996  0.003  1.0
  Mn  Mn10  1  0.365  0.994  0.669  1.0
  Mn  Mn11  1  0.380  0.984  0.335  1.0
  Mn  Mn12  1  0.604  0.620  0.668  1.0
  Mn  Mn13  1  0.629  0.635  0.002  1.0
  Mn  Mn14  1  0.654  0.657  0.337  1.0
  B  B15  1  0.023  0.006  0.328  1.0
  B  B16  1  0.661  0.334  0.499  1.0
  B  B17  1  0.666  0.328  0.166  1.0
  B  B18  1  0.982  0.977  0.661  1.0
  B  B19  1  0.672  0.339  0.832  1.0
  B  B20  1  0.994  0.018  0.994  1.0
  B  B21  1  0.321  0.664  0.838  1.0
  B  B22  1  0.336  0.658  0.504  1.0
  B  B23  1  0.342  0.679  0.171  1.0
  O  O24  1  0.184  0.118  0.014  1.0
  O  O25  1  0.173  0.076  0.641  1.0
  O  O26  1  0.220  0.112  0.329  1.0
  O  O27  1  0.577  0.444  0.509  1.0
  O  O28  1  0.588  0.441  0.169  1.0
  O  O29  1  0.598  0.457  0.821  1.0
  O  O30  1  0.543  0.141  0.487  1.0
  O  O31  1  0.556  0.133  0.176  1.0
  O  O32  1  0.559  0.147  0.836  1.0
  O  O33  1  0.903  0.827  0.974  1.0
  O  O34  1  0.934  0.816  0.348  1.0
  O  O35  1  0.891  0.780  0.662  1.0
  O  O36  1  0.853  0.412  0.502  1.0
  O  O37  1  0.859  0.402  0.154  1.0
  O  O38  1  0.867  0.423  0.843  1.0
  O  O39  1  0.888  0.109  0.996  1.0
  O  O40  1  0.882  0.066  0.681  1.0
  O  O41  1  0.924  0.097  0.307  1.0
  O  O42  1  0.250  0.784  0.840  1.0
  O  O43  1  0.266  0.780  0.488  1.0
  O  O44  1  0.267  0.795  0.186  1.0
  O  O45  1  0.205  0.472  0.852  1.0
  O  O46  1  0.216  0.466  0.507  1.0
  O  O47  1  0.220  0.486  0.155  1.0
  O  O48  1  0.514  0.734  0.822  1.0
  O  O49  1  0.528  0.733  0.519  1.0
  O  O50  1  0.534  0.750  0.173  1.0
[/CIF]
.
The material described by Li2Mn3(BO3)3 crystallizes in the trigonal P3_2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O5 square pyramids,  a cornercorner with one Li(2)O4 tetrahedra, and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O5 square pyramids,  a cornercorner with one Li(1)O4 tetrahedra, 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(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted MnO5 square pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 square pyramid. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and one O(9) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(3), and one B(3) atom. In the second O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one B(3) atom. In the third O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one B(3) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one B(1) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one B(1) atom. In the sixth O site, O(3) is bonded to one Li(1), one Li(2), one Mn(2), and one B(1) atom to form corner-sharing OLi2MnB tetrahedra. In the seventh O site, O(4) is bonded to one Li(2), one Mn(2), one Mn(3), and one B(2) atom to form distorted OLiMn2B tetrahedra that share corners with two equivalent O(3)Li2MnB tetrahedra and corners with two equivalent O(5)LiMn2B tetrahedra. In the eighth O site, O(5) is bonded to one Li(1), one Mn(1), one Mn(3), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(3)Li2MnB tetrahedra and corners with two equivalent O(4)LiMn2B tetrahedra. In the ninth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one B(2) 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   8.251
_cell_length_b   8.251
_cell_length_c   9.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   558.237
_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  0.297  0.288  0.167  1.0
  Li  Li1  1  0.294  0.268  0.499  1.0
  Li  Li2  1  0.974  0.706  0.833  1.0
  Li  Li3  1  0.990  0.703  0.501  1.0
  Li  Li4  1  0.732  0.026  0.166  1.0
  Li  Li5  1  0.712  0.010  0.834  1.0
  Mn  Mn6  1  0.006  0.371  0.336  1.0
  Mn  Mn7  1  0.016  0.396  0.002  1.0
  Mn  Mn8  1  0.004  0.346  0.670  1.0
  Mn  Mn9  1  0.343  0.996  0.003  1.0
  Mn  Mn10  1  0.365  0.994  0.669  1.0
  Mn  Mn11  1  0.380  0.984  0.335  1.0
  Mn  Mn12  1  0.604  0.620  0.668  1.0
  Mn  Mn13  1  0.629  0.635  0.002  1.0
  Mn  Mn14  1  0.654  0.657  0.337  1.0
  B  B15  1  0.023  0.006  0.328  1.0
  B  B16  1  0.661  0.334  0.499  1.0
  B  B17  1  0.666  0.328  0.166  1.0
  B  B18  1  0.982  0.977  0.661  1.0
  B  B19  1  0.672  0.339  0.832  1.0
  B  B20  1  0.994  0.018  0.994  1.0
  B  B21  1  0.321  0.664  0.838  1.0
  B  B22  1  0.336  0.658  0.504  1.0
  B  B23  1  0.342  0.679  0.171  1.0
  O  O24  1  0.184  0.118  0.014  1.0
  O  O25  1  0.173  0.076  0.641  1.0
  O  O26  1  0.220  0.112  0.329  1.0
  O  O27  1  0.577  0.444  0.509  1.0
  O  O28  1  0.588  0.441  0.169  1.0
  O  O29  1  0.598  0.457  0.821  1.0
  O  O30  1  0.543  0.141  0.487  1.0
  O  O31  1  0.556  0.133  0.176  1.0
  O  O32  1  0.559  0.147  0.836  1.0
  O  O33  1  0.903  0.827  0.974  1.0
  O  O34  1  0.934  0.816  0.348  1.0
  O  O35  1  0.891  0.780  0.662  1.0
  O  O36  1  0.853  0.412  0.502  1.0
  O  O37  1  0.859  0.402  0.154  1.0
  O  O38  1  0.867  0.423  0.843  1.0
  O  O39  1  0.888  0.109  0.996  1.0
  O  O40  1  0.882  0.066  0.681  1.0
  O  O41  1  0.924  0.097  0.307  1.0
  O  O42  1  0.250  0.784  0.840  1.0
  O  O43  1  0.266  0.780  0.488  1.0
  O  O44  1  0.267  0.795  0.186  1.0
  O  O45  1  0.205  0.472  0.852  1.0
  O  O46  1  0.216  0.466  0.507  1.0
  O  O47  1  0.220  0.486  0.155  1.0
  O  O48  1  0.514  0.734  0.822  1.0
  O  O49  1  0.528  0.733  0.519  1.0
  O  O50  1  0.534  0.750  0.173  1.0
[/CIF]
.