The compound 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(2), one O(3), 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(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(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(7), and one O(8) 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(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(6), and one O(9) 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(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(5), one O(6), and two equivalent O(9) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(5), and two equivalent O(3) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  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(11), one O(12), one O(2), and two equivalent O(4) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  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(11), one O(2), one O(7), and two equivalent O(8) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(7), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(3) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(4) atom. There are twelve 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(3), one Mn(2), and one B(4) atom. In the second O site, O(2) is bonded to one Li(1), one Mn(3), one Mn(4), and one B(1) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(2), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(3) and one B(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Mn(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(4), and one B(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Mn(4), and one B(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Mn(1), and one B(1) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one Li(2), one Mn(1), one Mn(2), and one B(4) atom. In the eleventh O site, O(11) is bonded to one Li(3), one Mn(3), one Mn(4), and one B(3) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Mn(3), and one B(3) 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   7.882
_cell_length_b   7.934
_cell_length_c   8.275
_cell_angle_alpha   81.550
_cell_angle_beta   80.584
_cell_angle_gamma   83.637
_symmetry_Int_Tables_number   1
_cell_volume   502.926
_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  0.312  0.150  0.220  1.0
  Li  Li1  1  0.705  0.366  0.271  1.0
  Li  Li2  1  0.187  0.844  0.274  1.0
  Li  Li3  1  0.813  0.156  0.726  1.0
  Li  Li4  1  0.295  0.634  0.729  1.0
  Li  Li5  1  0.688  0.850  0.780  1.0
  Mn  Mn6  1  0.181  0.997  0.576  1.0
  Mn  Mn7  1  0.677  0.988  0.085  1.0
  Mn  Mn8  1  0.174  0.494  0.079  1.0
  Mn  Mn9  1  0.321  0.491  0.428  1.0
  Mn  Mn10  1  0.679  0.509  0.572  1.0
  Mn  Mn11  1  0.826  0.506  0.921  1.0
  Mn  Mn12  1  0.323  0.012  0.915  1.0
  Mn  Mn13  1  0.819  0.003  0.424  1.0
  B  B14  1  0.004  0.326  0.406  1.0
  B  B15  1  0.501  0.168  0.589  1.0
  B  B16  1  0.511  0.337  0.912  1.0
  B  B17  1  0.004  0.828  0.894  1.0
  B  B18  1  0.996  0.172  0.106  1.0
  B  B19  1  0.489  0.663  0.088  1.0
  B  B20  1  0.499  0.832  0.411  1.0
  B  B21  1  0.996  0.674  0.594  1.0
  O  O22  1  0.131  0.048  0.121  1.0
  O  O23  1  0.170  0.342  0.313  1.0
  O  O24  1  0.482  0.183  0.014  1.0
  O  O25  1  0.018  0.331  0.013  1.0
  O  O26  1  0.336  0.136  0.669  1.0
  O  O27  1  0.638  0.050  0.626  1.0
  O  O28  1  0.126  0.551  0.613  1.0
  O  O29  1  0.531  0.316  0.481  1.0
  O  O30  1  0.023  0.830  0.490  1.0
  O  O31  1  0.831  0.147  0.192  1.0
  O  O32  1  0.322  0.644  0.182  1.0
  O  O33  1  0.382  0.465  0.892  1.0
  O  O34  1  0.618  0.535  0.108  1.0
  O  O35  1  0.678  0.356  0.818  1.0
  O  O36  1  0.169  0.853  0.808  1.0
  O  O37  1  0.977  0.170  0.510  1.0
  O  O38  1  0.469  0.684  0.519  1.0
  O  O39  1  0.874  0.449  0.387  1.0
  O  O40  1  0.362  0.950  0.374  1.0
  O  O41  1  0.664  0.864  0.331  1.0
  O  O42  1  0.982  0.669  0.987  1.0
  O  O43  1  0.518  0.817  0.986  1.0
  O  O44  1  0.830  0.658  0.687  1.0
  O  O45  1  0.869  0.952  0.879  1.0
[/CIF]
.
The compound 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(2), one O(3), 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(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(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(7), and one O(8) 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(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(6), and one O(9) 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(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(5), one O(6), and two equivalent O(9) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(5), and two equivalent O(3) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  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(11), one O(12), one O(2), and two equivalent O(4) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  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(11), one O(2), one O(7), and two equivalent O(8) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(7), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(3) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(4) atom. There are twelve 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(3), one Mn(2), and one B(4) atom. In the second O site, O(2) is bonded to one Li(1), one Mn(3), one Mn(4), and one B(1) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(2), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(3) and one B(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Mn(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(4), and one B(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Mn(4), and one B(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Mn(1), and one B(1) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one Li(2), one Mn(1), one Mn(2), and one B(4) atom. In the eleventh O site, O(11) is bonded to one Li(3), one Mn(3), one Mn(4), and one B(3) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Mn(3), and one B(3) 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   7.882
_cell_length_b   7.934
_cell_length_c   8.275
_cell_angle_alpha   81.550
_cell_angle_beta   80.584
_cell_angle_gamma   83.637
_symmetry_Int_Tables_number   1
_cell_volume   502.926
_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  0.312  0.150  0.220  1.0
  Li  Li1  1  0.705  0.366  0.271  1.0
  Li  Li2  1  0.187  0.844  0.274  1.0
  Li  Li3  1  0.813  0.156  0.726  1.0
  Li  Li4  1  0.295  0.634  0.729  1.0
  Li  Li5  1  0.688  0.850  0.780  1.0
  Mn  Mn6  1  0.181  0.997  0.576  1.0
  Mn  Mn7  1  0.677  0.988  0.085  1.0
  Mn  Mn8  1  0.174  0.494  0.079  1.0
  Mn  Mn9  1  0.321  0.491  0.428  1.0
  Mn  Mn10  1  0.679  0.509  0.572  1.0
  Mn  Mn11  1  0.826  0.506  0.921  1.0
  Mn  Mn12  1  0.323  0.012  0.915  1.0
  Mn  Mn13  1  0.819  0.003  0.424  1.0
  B  B14  1  0.004  0.326  0.406  1.0
  B  B15  1  0.501  0.168  0.589  1.0
  B  B16  1  0.511  0.337  0.912  1.0
  B  B17  1  0.004  0.828  0.894  1.0
  B  B18  1  0.996  0.172  0.106  1.0
  B  B19  1  0.489  0.663  0.088  1.0
  B  B20  1  0.499  0.832  0.411  1.0
  B  B21  1  0.996  0.674  0.594  1.0
  O  O22  1  0.131  0.048  0.121  1.0
  O  O23  1  0.170  0.342  0.313  1.0
  O  O24  1  0.482  0.183  0.014  1.0
  O  O25  1  0.018  0.331  0.013  1.0
  O  O26  1  0.336  0.136  0.669  1.0
  O  O27  1  0.638  0.050  0.626  1.0
  O  O28  1  0.126  0.551  0.613  1.0
  O  O29  1  0.531  0.316  0.481  1.0
  O  O30  1  0.023  0.830  0.490  1.0
  O  O31  1  0.831  0.147  0.192  1.0
  O  O32  1  0.322  0.644  0.182  1.0
  O  O33  1  0.382  0.465  0.892  1.0
  O  O34  1  0.618  0.535  0.108  1.0
  O  O35  1  0.678  0.356  0.818  1.0
  O  O36  1  0.169  0.853  0.808  1.0
  O  O37  1  0.977  0.170  0.510  1.0
  O  O38  1  0.469  0.684  0.519  1.0
  O  O39  1  0.874  0.449  0.387  1.0
  O  O40  1  0.362  0.950  0.374  1.0
  O  O41  1  0.664  0.864  0.331  1.0
  O  O42  1  0.982  0.669  0.987  1.0
  O  O43  1  0.518  0.817  0.986  1.0
  O  O44  1  0.830  0.658  0.687  1.0
  O  O45  1  0.869  0.952  0.879  1.0
[/CIF]
.