The material 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 in a 4-coordinate geometry to one O(4), one O(5), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(13), one O(14), one O(15), and one O(2) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one Mn(5)O5 square pyramid, and corners with two equivalent Li(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(13), one O(14), and one O(16) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one Mn(5)O5 square pyramid, and corners with two equivalent Li(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(12), one O(17), one O(18), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid, and  a cornercorner with one Mn(5)O5 square pyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(15), one O(16), one O(18), one O(3), and one O(4) 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, and  a cornercorner with one Li(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(17), one O(3), one O(4), and one O(5) atom. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), one O(12), one O(2), and one O(6) atom to form MnO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(4)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(2), and one O(5) atom. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(14), one O(7), one O(8), and one O(9) atom to form MnO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(4)O4 tetrahedra. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(17), one O(7), one O(8), and one O(9) atom. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(13), one O(17), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(14), one O(18), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(7) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(8) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(11), one O(15), and one O(9) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(16) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Mn(3), one Mn(4), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(13)Li2MnB tetrahedra,  a cornercorner with one O(14)Li2MnB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, and corners with two equivalent O(2)LiMn2B tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Mn(3), one Mn(4), and one B(4) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(13)Li2MnB tetrahedra,  a cornercorner with one O(14)Li2MnB tetrahedra,  a cornercorner with one O(15)LiMn2B tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra, corners with two equivalent O(1)LiMn2B tetrahedra, and  an edgeedge with one O(12)LiMn2B tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one B(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), one Mn(4), and one B(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(3), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(5), one Mn(6), and one B(3) atom. In the eighth O site, O(8) is bonded to one Li(4), one Mn(5), one Mn(6), and one B(4) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(13)Li2MnB tetrahedra,  a cornercorner with one O(14)Li2MnB tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra, and  a cornercorner with one O(2)LiMn2B tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Mn(5), one Mn(6), and one B(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(6), and one B(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one B(5) atom. In the twelfth O site, O(12) is bonded to one Li(4), one Mn(3), one Mn(4), and one B(6) atom to form a mixture of distorted edge and corner-sharing OLiMn2B tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(3), one Mn(6), and one B(1) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(15)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra, and corners with two equivalent O(14)Li2MnB tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(3), one Mn(5), and one B(2) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(15)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra, and corners with two equivalent O(13)Li2MnB tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(2), one Mn(1), one Mn(2), and one B(5) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(13)Li2MnB tetrahedra,  a cornercorner with one O(14)Li2MnB tetrahedra, and  a cornercorner with one O(2)LiMn2B tetrahedra. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(2), and one B(6) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(4), one Mn(2), one Mn(6), and one B(1) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Mn(1), and one B(2) atom. is represented by the CIF card [CIF]
data_Li2Mn3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.306
_cell_length_b   8.267
_cell_length_c   8.685
_cell_angle_alpha   116.708
_cell_angle_beta   110.154
_cell_angle_gamma   91.971
_symmetry_Int_Tables_number   1
_cell_volume   369.878
_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  0.369  0.303  0.280  1.0
  Li  Li1  1  0.604  0.982  0.691  1.0
  Li  Li2  1  0.079  0.980  0.691  1.0
  Li  Li3  1  0.781  0.720  0.022  1.0
  Mn  Mn4  1  0.190  0.012  0.371  1.0
  Mn  Mn5  1  0.669  0.012  0.330  1.0
  Mn  Mn6  1  0.016  0.382  0.994  1.0
  Mn  Mn7  1  0.521  0.347  0.007  1.0
  Mn  Mn8  1  0.806  0.608  0.628  1.0
  Mn  Mn9  1  0.327  0.651  0.687  1.0
  B  B10  1  0.489  0.994  0.987  1.0
  B  B11  1  0.991  0.002  0.989  1.0
  B  B12  1  0.068  0.328  0.667  1.0
  B  B13  1  0.593  0.334  0.668  1.0
  B  B14  1  0.431  0.671  0.342  1.0
  B  B15  1  0.924  0.671  0.343  1.0
  O  O16  1  0.135  0.259  0.795  1.0
  O  O17  1  0.659  0.261  0.789  1.0
  O  O18  1  0.004  0.212  0.480  1.0
  O  O19  1  0.496  0.224  0.475  1.0
  O  O20  1  0.537  0.177  0.123  1.0
  O  O21  1  0.051  0.194  0.082  1.0
  O  O22  1  0.072  0.518  0.743  1.0
  O  O23  1  0.632  0.529  0.748  1.0
  O  O24  1  0.488  0.599  0.467  1.0
  O  O25  1  0.969  0.606  0.471  1.0
  O  O26  1  0.348  0.540  0.153  1.0
  O  O27  1  0.861  0.549  0.150  1.0
  O  O28  1  0.389  0.939  0.794  1.0
  O  O29  1  0.884  0.900  0.792  1.0
  O  O30  1  0.456  0.859  0.409  1.0
  O  O31  1  0.940  0.857  0.403  1.0
  O  O32  1  0.538  0.857  0.036  1.0
  O  O33  1  0.035  0.909  0.090  1.0
[/CIF]
.
The material 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 in a 4-coordinate geometry to one O(4), one O(5), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(13), one O(14), one O(15), and one O(2) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one Mn(5)O5 square pyramid, and corners with two equivalent Li(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(13), one O(14), and one O(16) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one Mn(5)O5 square pyramid, and corners with two equivalent Li(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(12), one O(17), one O(18), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid, and  a cornercorner with one Mn(5)O5 square pyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(15), one O(16), one O(18), one O(3), and one O(4) 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, and  a cornercorner with one Li(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(17), one O(3), one O(4), and one O(5) atom. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), one O(12), one O(2), and one O(6) atom to form MnO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(4)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(2), and one O(5) atom. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(14), one O(7), one O(8), and one O(9) atom to form MnO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(4)O4 tetrahedra. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(17), one O(7), one O(8), and one O(9) atom. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(13), one O(17), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(14), one O(18), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(7) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(8) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(11), one O(15), and one O(9) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(16) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Mn(3), one Mn(4), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(13)Li2MnB tetrahedra,  a cornercorner with one O(14)Li2MnB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, and corners with two equivalent O(2)LiMn2B tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Mn(3), one Mn(4), and one B(4) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(13)Li2MnB tetrahedra,  a cornercorner with one O(14)Li2MnB tetrahedra,  a cornercorner with one O(15)LiMn2B tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra, corners with two equivalent O(1)LiMn2B tetrahedra, and  an edgeedge with one O(12)LiMn2B tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one B(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), one Mn(4), and one B(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(3), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(5), one Mn(6), and one B(3) atom. In the eighth O site, O(8) is bonded to one Li(4), one Mn(5), one Mn(6), and one B(4) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(13)Li2MnB tetrahedra,  a cornercorner with one O(14)Li2MnB tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra, and  a cornercorner with one O(2)LiMn2B tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Mn(5), one Mn(6), and one B(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(6), and one B(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one B(5) atom. In the twelfth O site, O(12) is bonded to one Li(4), one Mn(3), one Mn(4), and one B(6) atom to form a mixture of distorted edge and corner-sharing OLiMn2B tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(3), one Mn(6), and one B(1) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(15)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra, and corners with two equivalent O(14)Li2MnB tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(3), one Mn(5), and one B(2) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(15)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra, and corners with two equivalent O(13)Li2MnB tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(2), one Mn(1), one Mn(2), and one B(5) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(13)Li2MnB tetrahedra,  a cornercorner with one O(14)Li2MnB tetrahedra, and  a cornercorner with one O(2)LiMn2B tetrahedra. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(2), and one B(6) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(4), one Mn(2), one Mn(6), and one B(1) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Mn(1), and one B(2) atom. is represented by the CIF card [CIF]
data_Li2Mn3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.306
_cell_length_b   8.267
_cell_length_c   8.685
_cell_angle_alpha   116.708
_cell_angle_beta   110.154
_cell_angle_gamma   91.971
_symmetry_Int_Tables_number   1
_cell_volume   369.878
_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  0.369  0.303  0.280  1.0
  Li  Li1  1  0.604  0.982  0.691  1.0
  Li  Li2  1  0.079  0.980  0.691  1.0
  Li  Li3  1  0.781  0.720  0.022  1.0
  Mn  Mn4  1  0.190  0.012  0.371  1.0
  Mn  Mn5  1  0.669  0.012  0.330  1.0
  Mn  Mn6  1  0.016  0.382  0.994  1.0
  Mn  Mn7  1  0.521  0.347  0.007  1.0
  Mn  Mn8  1  0.806  0.608  0.628  1.0
  Mn  Mn9  1  0.327  0.651  0.687  1.0
  B  B10  1  0.489  0.994  0.987  1.0
  B  B11  1  0.991  0.002  0.989  1.0
  B  B12  1  0.068  0.328  0.667  1.0
  B  B13  1  0.593  0.334  0.668  1.0
  B  B14  1  0.431  0.671  0.342  1.0
  B  B15  1  0.924  0.671  0.343  1.0
  O  O16  1  0.135  0.259  0.795  1.0
  O  O17  1  0.659  0.261  0.789  1.0
  O  O18  1  0.004  0.212  0.480  1.0
  O  O19  1  0.496  0.224  0.475  1.0
  O  O20  1  0.537  0.177  0.123  1.0
  O  O21  1  0.051  0.194  0.082  1.0
  O  O22  1  0.072  0.518  0.743  1.0
  O  O23  1  0.632  0.529  0.748  1.0
  O  O24  1  0.488  0.599  0.467  1.0
  O  O25  1  0.969  0.606  0.471  1.0
  O  O26  1  0.348  0.540  0.153  1.0
  O  O27  1  0.861  0.549  0.150  1.0
  O  O28  1  0.389  0.939  0.794  1.0
  O  O29  1  0.884  0.900  0.792  1.0
  O  O30  1  0.456  0.859  0.409  1.0
  O  O31  1  0.940  0.857  0.403  1.0
  O  O32  1  0.538  0.857  0.036  1.0
  O  O33  1  0.035  0.909  0.090  1.0
[/CIF]
.