The material described by Li2Mn3(BO3)3 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(1), one O(3), one O(5), and one O(9) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(3)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(2), one O(6), and two equivalent O(4) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with three equivalent Mn(2)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  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(2), one O(4), one O(8), and two equivalent O(6) atoms to form MnO5 trigonal bipyramids that share corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the third Mn site, Mn(3) is bonded to one O(5), one O(7), one O(9), and two equivalent O(1) atoms to form MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. 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(5), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(4), one O(7), and one O(8) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Mn(3), and one B(1) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Li(2), one Mn(1), one Mn(2), and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Mn(2), and one B(3) 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(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Mn(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one B(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one B(1) atom. is represented by the CIF card [CIF]
data_Li2Mn3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.226
_cell_length_b   5.867
_cell_length_c   13.437
_cell_angle_alpha   96.581
_cell_angle_beta   91.290
_cell_angle_gamma   112.386
_symmetry_Int_Tables_number   1
_cell_volume   377.402
_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  0.815  0.469  0.128  1.0
  Li  Li1  1  0.475  0.777  0.461  1.0
  Li  Li2  1  0.525  0.223  0.539  1.0
  Li  Li3  1  0.185  0.531  0.872  1.0
  Mn  Mn4  1  0.364  0.510  0.256  1.0
  Mn  Mn5  1  0.013  0.837  0.591  1.0
  Mn  Mn6  1  0.677  0.155  0.917  1.0
  Mn  Mn7  1  0.323  0.845  0.083  1.0
  Mn  Mn8  1  0.987  0.163  0.409  1.0
  Mn  Mn9  1  0.636  0.490  0.744  1.0
  B  B10  1  0.244  0.291  0.034  1.0
  B  B11  1  0.908  0.617  0.361  1.0
  B  B12  1  0.574  0.952  0.690  1.0
  B  B13  1  0.426  0.048  0.310  1.0
  B  B14  1  0.092  0.383  0.639  1.0
  B  B15  1  0.756  0.709  0.966  1.0
  O  O16  1  0.469  0.220  0.049  1.0
  O  O17  1  0.137  0.552  0.379  1.0
  O  O18  1  0.758  0.539  0.271  1.0
  O  O19  1  0.437  0.899  0.597  1.0
  O  O20  1  0.187  0.438  0.115  1.0
  O  O21  1  0.845  0.765  0.438  1.0
  O  O22  1  0.560  0.136  0.763  1.0
  O  O23  1  0.755  0.836  0.713  1.0
  O  O24  1  0.903  0.761  0.056  1.0
  O  O25  1  0.097  0.239  0.944  1.0
  O  O26  1  0.245  0.164  0.287  1.0
  O  O27  1  0.440  0.864  0.237  1.0
  O  O28  1  0.155  0.235  0.562  1.0
  O  O29  1  0.813  0.562  0.885  1.0
  O  O30  1  0.563  0.101  0.403  1.0
  O  O31  1  0.242  0.461  0.729  1.0
  O  O32  1  0.863  0.448  0.621  1.0
  O  O33  1  0.531  0.780  0.951  1.0
[/CIF]
.
The material described by Li2Mn3(BO3)3 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(1), one O(3), one O(5), and one O(9) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(3)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(2), one O(6), and two equivalent O(4) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with three equivalent Mn(2)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  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(2), one O(4), one O(8), and two equivalent O(6) atoms to form MnO5 trigonal bipyramids that share corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the third Mn site, Mn(3) is bonded to one O(5), one O(7), one O(9), and two equivalent O(1) atoms to form MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. 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(5), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(4), one O(7), and one O(8) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Mn(3), and one B(1) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Li(2), one Mn(1), one Mn(2), and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Mn(2), and one B(3) 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(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Mn(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one B(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one B(1) atom. is represented by the CIF card [CIF]
data_Li2Mn3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.226
_cell_length_b   5.867
_cell_length_c   13.437
_cell_angle_alpha   96.581
_cell_angle_beta   91.290
_cell_angle_gamma   112.386
_symmetry_Int_Tables_number   1
_cell_volume   377.402
_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  0.815  0.469  0.128  1.0
  Li  Li1  1  0.475  0.777  0.461  1.0
  Li  Li2  1  0.525  0.223  0.539  1.0
  Li  Li3  1  0.185  0.531  0.872  1.0
  Mn  Mn4  1  0.364  0.510  0.256  1.0
  Mn  Mn5  1  0.013  0.837  0.591  1.0
  Mn  Mn6  1  0.677  0.155  0.917  1.0
  Mn  Mn7  1  0.323  0.845  0.083  1.0
  Mn  Mn8  1  0.987  0.163  0.409  1.0
  Mn  Mn9  1  0.636  0.490  0.744  1.0
  B  B10  1  0.244  0.291  0.034  1.0
  B  B11  1  0.908  0.617  0.361  1.0
  B  B12  1  0.574  0.952  0.690  1.0
  B  B13  1  0.426  0.048  0.310  1.0
  B  B14  1  0.092  0.383  0.639  1.0
  B  B15  1  0.756  0.709  0.966  1.0
  O  O16  1  0.469  0.220  0.049  1.0
  O  O17  1  0.137  0.552  0.379  1.0
  O  O18  1  0.758  0.539  0.271  1.0
  O  O19  1  0.437  0.899  0.597  1.0
  O  O20  1  0.187  0.438  0.115  1.0
  O  O21  1  0.845  0.765  0.438  1.0
  O  O22  1  0.560  0.136  0.763  1.0
  O  O23  1  0.755  0.836  0.713  1.0
  O  O24  1  0.903  0.761  0.056  1.0
  O  O25  1  0.097  0.239  0.944  1.0
  O  O26  1  0.245  0.164  0.287  1.0
  O  O27  1  0.440  0.864  0.237  1.0
  O  O28  1  0.155  0.235  0.562  1.0
  O  O29  1  0.813  0.562  0.885  1.0
  O  O30  1  0.563  0.101  0.403  1.0
  O  O31  1  0.242  0.461  0.729  1.0
  O  O32  1  0.863  0.448  0.621  1.0
  O  O33  1  0.531  0.780  0.951  1.0
[/CIF]
.