The material structure described by Li3Mn4(BO3)4 crystallizes in the triclinic P-1 space group. There are three 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(6) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two 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. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), and one O(7) 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(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(4)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(10), one O(12), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Mn(3)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(2), one O(4), 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(2)O4 trigonal pyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), and two equivalent O(6) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Li(1)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(1)O4 trigonal pyramid. In the third Mn site, Mn(3) is bonded to one O(10), one O(12), one O(7), and two equivalent O(9) atoms to form MnO5 trigonal bipyramids that share corners with two equivalent Li(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(5), 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(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), 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(4), and one O(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(11), one O(7), 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(12), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one B(1) atom. In the second O site, O(2) is bonded to one Li(2), one Mn(1), one Mn(4), and one B(2) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one B(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mn(4), and one B(2) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Mn(2), and one B(4) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(5)Li2MnB trigonal pyramid and  an edgeedge with one O(6)LiMn2B tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Mn(3), one Mn(4), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one B(3) atom. In the ninth O site, O(9) is bonded to one Li(3), two equivalent Mn(3), and one B(1) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(3), one Mn(3), one Mn(4), and one B(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(4), and one B(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Mn(3), and one B(4) 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   6.185
_cell_length_b   9.168
_cell_length_c   9.265
_cell_angle_alpha   81.192
_cell_angle_beta   82.318
_cell_angle_gamma   77.067
_symmetry_Int_Tables_number   1
_cell_volume   503.268
_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  0.714  0.809  0.466  1.0
  Li  Li1  1  0.478  0.304  0.714  1.0
  Li  Li2  1  0.522  0.696  0.286  1.0
  Li  Li3  1  0.286  0.191  0.534  1.0
  Li  Li4  1  0.205  0.814  0.952  1.0
  Li  Li5  1  0.795  0.186  0.048  1.0
  Mn  Mn6  1  0.510  0.619  0.741  1.0
  Mn  Mn7  1  0.222  0.877  0.521  1.0
  Mn  Mn8  1  0.733  0.872  0.003  1.0
  Mn  Mn9  1  0.490  0.381  0.259  1.0
  Mn  Mn10  1  0.012  0.606  0.235  1.0
  Mn  Mn11  1  0.778  0.123  0.479  1.0
  Mn  Mn12  1  0.267  0.128  0.997  1.0
  Mn  Mn13  1  0.988  0.394  0.765  1.0
  B  B14  1  0.505  0.961  0.734  1.0
  B  B15  1  0.266  0.532  0.516  1.0
  B  B16  1  0.720  0.541  0.015  1.0
  B  B17  1  0.495  0.039  0.266  1.0
  B  B18  1  0.009  0.946  0.235  1.0
  B  B19  1  0.734  0.468  0.484  1.0
  B  B20  1  0.280  0.459  0.985  1.0
  B  B21  1  0.991  0.054  0.765  1.0
  O  O22  1  0.522  0.842  0.653  1.0
  O  O23  1  0.695  0.438  0.638  1.0
  O  O24  1  0.538  0.100  0.665  1.0
  O  O25  1  0.284  0.645  0.597  1.0
  O  O26  1  0.462  0.900  0.335  1.0
  O  O27  1  0.224  0.397  0.581  1.0
  O  O28  1  0.305  0.562  0.362  1.0
  O  O29  1  0.052  0.078  0.612  1.0
  O  O30  1  0.717  0.650  0.103  1.0
  O  O31  1  0.478  0.158  0.347  1.0
  O  O32  1  0.948  0.922  0.388  1.0
  O  O33  1  0.692  0.398  0.073  1.0
  O  O34  1  0.776  0.603  0.419  1.0
  O  O35  1  0.561  0.061  0.116  1.0
  O  O36  1  0.025  0.829  0.151  1.0
  O  O37  1  0.716  0.355  0.403  1.0
  O  O38  1  0.439  0.939  0.884  1.0
  O  O39  1  0.234  0.427  0.138  1.0
  O  O40  1  0.308  0.602  0.927  1.0
  O  O41  1  0.037  0.085  0.171  1.0
  O  O42  1  0.283  0.350  0.897  1.0
  O  O43  1  0.963  0.915  0.829  1.0
  O  O44  1  0.766  0.573  0.862  1.0
  O  O45  1  0.975  0.171  0.849  1.0
[/CIF]
.
The material structure described by Li3Mn4(BO3)4 crystallizes in the triclinic P-1 space group. There are three 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(6) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two 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. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), and one O(7) 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(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(4)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(10), one O(12), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Mn(3)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(2), one O(4), 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(2)O4 trigonal pyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), and two equivalent O(6) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Li(1)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(1)O4 trigonal pyramid. In the third Mn site, Mn(3) is bonded to one O(10), one O(12), one O(7), and two equivalent O(9) atoms to form MnO5 trigonal bipyramids that share corners with two equivalent Li(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(5), 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(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), 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(4), and one O(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(11), one O(7), 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(12), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one B(1) atom. In the second O site, O(2) is bonded to one Li(2), one Mn(1), one Mn(4), and one B(2) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one B(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mn(4), and one B(2) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Mn(2), and one B(4) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(5)Li2MnB trigonal pyramid and  an edgeedge with one O(6)LiMn2B tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Mn(3), one Mn(4), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one B(3) atom. In the ninth O site, O(9) is bonded to one Li(3), two equivalent Mn(3), and one B(1) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(3), one Mn(3), one Mn(4), and one B(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(4), and one B(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Mn(3), and one B(4) 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   6.185
_cell_length_b   9.168
_cell_length_c   9.265
_cell_angle_alpha   81.192
_cell_angle_beta   82.318
_cell_angle_gamma   77.067
_symmetry_Int_Tables_number   1
_cell_volume   503.268
_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  0.714  0.809  0.466  1.0
  Li  Li1  1  0.478  0.304  0.714  1.0
  Li  Li2  1  0.522  0.696  0.286  1.0
  Li  Li3  1  0.286  0.191  0.534  1.0
  Li  Li4  1  0.205  0.814  0.952  1.0
  Li  Li5  1  0.795  0.186  0.048  1.0
  Mn  Mn6  1  0.510  0.619  0.741  1.0
  Mn  Mn7  1  0.222  0.877  0.521  1.0
  Mn  Mn8  1  0.733  0.872  0.003  1.0
  Mn  Mn9  1  0.490  0.381  0.259  1.0
  Mn  Mn10  1  0.012  0.606  0.235  1.0
  Mn  Mn11  1  0.778  0.123  0.479  1.0
  Mn  Mn12  1  0.267  0.128  0.997  1.0
  Mn  Mn13  1  0.988  0.394  0.765  1.0
  B  B14  1  0.505  0.961  0.734  1.0
  B  B15  1  0.266  0.532  0.516  1.0
  B  B16  1  0.720  0.541  0.015  1.0
  B  B17  1  0.495  0.039  0.266  1.0
  B  B18  1  0.009  0.946  0.235  1.0
  B  B19  1  0.734  0.468  0.484  1.0
  B  B20  1  0.280  0.459  0.985  1.0
  B  B21  1  0.991  0.054  0.765  1.0
  O  O22  1  0.522  0.842  0.653  1.0
  O  O23  1  0.695  0.438  0.638  1.0
  O  O24  1  0.538  0.100  0.665  1.0
  O  O25  1  0.284  0.645  0.597  1.0
  O  O26  1  0.462  0.900  0.335  1.0
  O  O27  1  0.224  0.397  0.581  1.0
  O  O28  1  0.305  0.562  0.362  1.0
  O  O29  1  0.052  0.078  0.612  1.0
  O  O30  1  0.717  0.650  0.103  1.0
  O  O31  1  0.478  0.158  0.347  1.0
  O  O32  1  0.948  0.922  0.388  1.0
  O  O33  1  0.692  0.398  0.073  1.0
  O  O34  1  0.776  0.603  0.419  1.0
  O  O35  1  0.561  0.061  0.116  1.0
  O  O36  1  0.025  0.829  0.151  1.0
  O  O37  1  0.716  0.355  0.403  1.0
  O  O38  1  0.439  0.939  0.884  1.0
  O  O39  1  0.234  0.427  0.138  1.0
  O  O40  1  0.308  0.602  0.927  1.0
  O  O41  1  0.037  0.085  0.171  1.0
  O  O42  1  0.283  0.350  0.897  1.0
  O  O43  1  0.963  0.915  0.829  1.0
  O  O44  1  0.766  0.573  0.862  1.0
  O  O45  1  0.975  0.171  0.849  1.0
[/CIF]
.