The crystal structure described by Li3Mn4(BO3)4 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(23), and one O(4) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  a cornercorner with one Mn(7)O5 trigonal bipyramid,  a cornercorner with one Mn(8)O5 trigonal bipyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(6), and one O(8) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(20), one O(5), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  a cornercorner with one Mn(8)O5 trigonal bipyramid, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(14), and one O(3) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(11), one O(14), one O(15), and one O(22) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Mn(7)O5 trigonal bipyramid,  a cornercorner with one Mn(8)O5 trigonal bipyramid,  an edgeedge with one Mn(5)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the sixth Li site, Li(6) is bonded to one O(13), one O(2), one O(21), and one O(24) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(8)O5 trigonal bipyramid, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(20), one O(21), one O(3), one O(4), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(8)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(2), one O(23), and one O(7) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Mn(6)O5 trigonal bipyramid,  an edgeedge with one Mn(7)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Mn site, Mn(3) is bonded to one O(15), one O(17), one O(18), one O(24), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(19), one O(3), one O(6), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(5)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the fifth Mn site, Mn(5) is bonded to one O(14), one O(16), one O(19), one O(22), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(8)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O4 trigonal pyramid. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(10), one O(17), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the seventh Mn site, Mn(7) is bonded to one O(13), one O(15), one O(18), one O(2), and one O(23) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the eighth Mn site, Mn(8) is bonded to one O(16), one O(21), one O(22), one O(4), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(18), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), 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(11), one O(21), and one O(8) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(15), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(16) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(14), one O(17), and one O(4) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(19), one O(20), and one O(23) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(22), one O(24), and one O(7) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(6), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(6), one Mn(2), one Mn(7), and one B(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Mn(4), and one B(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Mn(1), one Mn(8), and one B(6) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(14)Li2MnB trigonal pyramid and  an edgeedge with one O(21)LiMn2B tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(8), and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(2), one Mn(4), one Mn(5), and one B(2) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the seventh O site, O(7) is bonded to one Li(3), one Mn(2), one Mn(6), and one B(8) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Mn(3), one Mn(6), and one B(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(4), and one B(4) atom. In the tenth O site, O(10) is bonded to one Li(4), one Mn(2), one Mn(6), and one B(5) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(14)Li2MnB trigonal pyramid and  an edgeedge with one O(7)LiMn2B tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(5), one Mn(4), and one B(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(2), and one B(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(6), one Mn(7), and one B(5) atom. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one Mn(5), and one B(6) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Li(5), one Mn(3), one Mn(7), and one B(4) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(5), one Mn(8), and one B(5) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(6), and one B(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(7), and one B(1) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(5), and one B(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Mn(1), and one B(7) atom. In the twenty-first O site, O(21) is bonded to one Li(6), one Mn(1), one Mn(8), and one B(3) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Mn(5), one Mn(8), and one B(8) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Mn(7), and one B(7) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(3), and one B(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.854
_cell_length_b   8.288
_cell_length_c   9.197
_cell_angle_alpha   66.852
_cell_angle_beta   66.128
_cell_angle_gamma   80.257
_symmetry_Int_Tables_number   1
_cell_volume   503.352
_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  0.113  0.198  0.154  1.0
  Li  Li1  1  0.389  0.294  0.849  1.0
  Li  Li2  1  0.118  0.539  0.362  1.0
  Li  Li3  1  0.364  0.952  0.652  1.0
  Li  Li4  1  0.635  0.048  0.355  1.0
  Li  Li5  1  0.864  0.792  0.863  1.0
  Mn  Mn6  1  0.062  0.172  0.511  1.0
  Mn  Mn7  1  0.170  0.578  1.000  1.0
  Mn  Mn8  1  0.680  0.071  0.014  1.0
  Mn  Mn9  1  0.426  0.334  0.496  1.0
  Mn  Mn10  1  0.586  0.664  0.486  1.0
  Mn  Mn11  1  0.332  0.908  0.009  1.0
  Mn  Mn12  1  0.817  0.427  0.989  1.0
  Mn  Mn13  1  0.929  0.819  0.508  1.0
  B  B14  1  0.079  0.164  0.842  1.0
  B  B15  1  0.178  0.577  0.664  1.0
  B  B16  1  0.670  0.069  0.673  1.0
  B  B17  1  0.412  0.317  0.171  1.0
  B  B18  1  0.576  0.693  0.819  1.0
  B  B19  1  0.334  0.941  0.331  1.0
  B  B20  1  0.830  0.425  0.323  1.0
  B  B21  1  0.925  0.822  0.168  1.0
  O  O22  1  0.162  0.135  0.957  1.0
  O  O23  1  0.065  0.608  0.813  1.0
  O  O24  1  0.179  0.144  0.687  1.0
  O  O25  1  0.149  0.004  0.357  1.0
  O  O26  1  0.121  0.621  0.530  1.0
  O  O27  1  0.352  0.491  0.652  1.0
  O  O28  1  0.094  0.733  0.157  1.0
  O  O29  1  0.575  0.102  0.824  1.0
  O  O30  1  0.312  0.347  0.322  1.0
  O  O31  1  0.396  0.765  0.848  1.0
  O  O32  1  0.593  0.107  0.553  1.0
  O  O33  1  0.341  0.356  0.048  1.0
  O  O34  1  0.651  0.644  0.939  1.0
  O  O35  1  0.408  0.896  0.453  1.0
  O  O36  1  0.588  0.234  0.151  1.0
  O  O37  1  0.677  0.687  0.656  1.0
  O  O38  1  0.443  0.938  0.167  1.0
  O  O39  1  0.894  0.229  0.878  1.0
  O  O40  1  0.655  0.505  0.348  1.0
  O  O41  1  0.906  0.388  0.442  1.0
  O  O42  1  0.844  0.983  0.652  1.0
  O  O43  1  0.818  0.856  0.317  1.0
  O  O44  1  0.927  0.390  0.173  1.0
  O  O45  1  0.863  0.871  0.036  1.0
[/CIF]
.
The crystal structure described by Li3Mn4(BO3)4 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(23), and one O(4) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  a cornercorner with one Mn(7)O5 trigonal bipyramid,  a cornercorner with one Mn(8)O5 trigonal bipyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(6), and one O(8) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(20), one O(5), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  a cornercorner with one Mn(8)O5 trigonal bipyramid, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(14), and one O(3) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(11), one O(14), one O(15), and one O(22) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Mn(7)O5 trigonal bipyramid,  a cornercorner with one Mn(8)O5 trigonal bipyramid,  an edgeedge with one Mn(5)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the sixth Li site, Li(6) is bonded to one O(13), one O(2), one O(21), and one O(24) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(8)O5 trigonal bipyramid, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(20), one O(21), one O(3), one O(4), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(8)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(2), one O(23), and one O(7) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Mn(6)O5 trigonal bipyramid,  an edgeedge with one Mn(7)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Mn site, Mn(3) is bonded to one O(15), one O(17), one O(18), one O(24), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(19), one O(3), one O(6), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(5)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the fifth Mn site, Mn(5) is bonded to one O(14), one O(16), one O(19), one O(22), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(8)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O4 trigonal pyramid. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(10), one O(17), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the seventh Mn site, Mn(7) is bonded to one O(13), one O(15), one O(18), one O(2), and one O(23) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the eighth Mn site, Mn(8) is bonded to one O(16), one O(21), one O(22), one O(4), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(18), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), 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(11), one O(21), and one O(8) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(15), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(16) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(14), one O(17), and one O(4) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(19), one O(20), and one O(23) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(22), one O(24), and one O(7) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(6), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(6), one Mn(2), one Mn(7), and one B(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Mn(4), and one B(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Mn(1), one Mn(8), and one B(6) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(14)Li2MnB trigonal pyramid and  an edgeedge with one O(21)LiMn2B tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(8), and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(2), one Mn(4), one Mn(5), and one B(2) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the seventh O site, O(7) is bonded to one Li(3), one Mn(2), one Mn(6), and one B(8) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Mn(3), one Mn(6), and one B(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(4), and one B(4) atom. In the tenth O site, O(10) is bonded to one Li(4), one Mn(2), one Mn(6), and one B(5) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(14)Li2MnB trigonal pyramid and  an edgeedge with one O(7)LiMn2B tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(5), one Mn(4), and one B(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(2), and one B(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(6), one Mn(7), and one B(5) atom. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one Mn(5), and one B(6) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Li(5), one Mn(3), one Mn(7), and one B(4) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(5), one Mn(8), and one B(5) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(6), and one B(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(7), and one B(1) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(5), and one B(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Mn(1), and one B(7) atom. In the twenty-first O site, O(21) is bonded to one Li(6), one Mn(1), one Mn(8), and one B(3) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Mn(5), one Mn(8), and one B(8) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Mn(7), and one B(7) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(3), and one B(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.854
_cell_length_b   8.288
_cell_length_c   9.197
_cell_angle_alpha   66.852
_cell_angle_beta   66.128
_cell_angle_gamma   80.257
_symmetry_Int_Tables_number   1
_cell_volume   503.352
_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  0.113  0.198  0.154  1.0
  Li  Li1  1  0.389  0.294  0.849  1.0
  Li  Li2  1  0.118  0.539  0.362  1.0
  Li  Li3  1  0.364  0.952  0.652  1.0
  Li  Li4  1  0.635  0.048  0.355  1.0
  Li  Li5  1  0.864  0.792  0.863  1.0
  Mn  Mn6  1  0.062  0.172  0.511  1.0
  Mn  Mn7  1  0.170  0.578  1.000  1.0
  Mn  Mn8  1  0.680  0.071  0.014  1.0
  Mn  Mn9  1  0.426  0.334  0.496  1.0
  Mn  Mn10  1  0.586  0.664  0.486  1.0
  Mn  Mn11  1  0.332  0.908  0.009  1.0
  Mn  Mn12  1  0.817  0.427  0.989  1.0
  Mn  Mn13  1  0.929  0.819  0.508  1.0
  B  B14  1  0.079  0.164  0.842  1.0
  B  B15  1  0.178  0.577  0.664  1.0
  B  B16  1  0.670  0.069  0.673  1.0
  B  B17  1  0.412  0.317  0.171  1.0
  B  B18  1  0.576  0.693  0.819  1.0
  B  B19  1  0.334  0.941  0.331  1.0
  B  B20  1  0.830  0.425  0.323  1.0
  B  B21  1  0.925  0.822  0.168  1.0
  O  O22  1  0.162  0.135  0.957  1.0
  O  O23  1  0.065  0.608  0.813  1.0
  O  O24  1  0.179  0.144  0.687  1.0
  O  O25  1  0.149  0.004  0.357  1.0
  O  O26  1  0.121  0.621  0.530  1.0
  O  O27  1  0.352  0.491  0.652  1.0
  O  O28  1  0.094  0.733  0.157  1.0
  O  O29  1  0.575  0.102  0.824  1.0
  O  O30  1  0.312  0.347  0.322  1.0
  O  O31  1  0.396  0.765  0.848  1.0
  O  O32  1  0.593  0.107  0.553  1.0
  O  O33  1  0.341  0.356  0.048  1.0
  O  O34  1  0.651  0.644  0.939  1.0
  O  O35  1  0.408  0.896  0.453  1.0
  O  O36  1  0.588  0.234  0.151  1.0
  O  O37  1  0.677  0.687  0.656  1.0
  O  O38  1  0.443  0.938  0.167  1.0
  O  O39  1  0.894  0.229  0.878  1.0
  O  O40  1  0.655  0.505  0.348  1.0
  O  O41  1  0.906  0.388  0.442  1.0
  O  O42  1  0.844  0.983  0.652  1.0
  O  O43  1  0.818  0.856  0.317  1.0
  O  O44  1  0.927  0.390  0.173  1.0
  O  O45  1  0.863  0.871  0.036  1.0
[/CIF]
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