The material described by Li5Mn6(BO3)6 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(17), one O(2), one O(3), and one O(6) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(10), one O(5), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(14), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Mn(5)O5 trigonal bipyramids,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(13), one O(16), one O(17), and one O(2) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with two equivalent Mn(6)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(14), one O(15), one O(18), 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(6)O5 trigonal bipyramid, corners with two equivalent Mn(3)O5 trigonal bipyramids,  an edgeedge with one Mn(5)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(16), one O(17), one O(18), and one O(3) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(5)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Mn(6)O5 trigonal bipyramids, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(12), one O(4), one O(5), one O(6), and one O(8) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and edges with two equivalent Mn(4)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(11), one O(13), one O(15), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, corners with two equivalent Li(5)O4 trigonal pyramids, edges with two equivalent Mn(5)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(4), one O(6), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  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, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(13), one O(14), one O(15), and one O(7) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, corners with two equivalent Li(3)O4 trigonal pyramids, edges with two equivalent Mn(3)O5 trigonal bipyramids, 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(16), one O(18), one O(2), and one O(3) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(5)O4 trigonal pyramid, corners with two equivalent Li(4)O4 trigonal pyramids, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), 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(7), one O(8), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(13), one O(14), and one O(16) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(15), one O(17), and one O(18) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(6), and one B(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Mn(6), and one B(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(6), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Mn(2), one Mn(4), and one B(2) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the seventh O site, O(7) is bonded to one Li(2), one Mn(3), one Mn(5), and one B(3) 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(2), one Mn(4), and one B(3) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Mn(3), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(4), and one B(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Mn(3), one Mn(5), and one B(4) atom. In the twelfth O site, O(12) is bonded to one Li(3), one Mn(2), one Mn(4), and one B(4) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(4), one Mn(3), one Mn(5), and one B(5) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Mn(5), and one B(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(5), one Mn(3), one Mn(5), and one B(6) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Mn(6), and one B(5) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Mn(1), and one B(6) atom. In the eighteenth O site, O(18) is bonded in a distorted tetrahedral geometry to one Li(5), one Mn(1), one Mn(6), and one B(6) atom. is represented by the CIF file [CIF]
data_Li5Mn6(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   6.205
_cell_length_c   12.011
_cell_angle_alpha   84.795
_cell_angle_beta   78.482
_cell_angle_gamma   87.203
_symmetry_Int_Tables_number   1
_cell_volume   379.112
_cell_formula_units_Z   1
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  0.042  0.418  0.100  1.0
  Li  Li1  1  0.362  0.772  0.424  1.0
  Li  Li2  1  0.631  0.252  0.564  1.0
  Li  Li3  1  0.967  0.578  0.899  1.0
  Li  Li4  1  0.698  0.087  0.768  1.0
  Mn  Mn5  1  0.597  0.247  0.003  1.0
  Mn  Mn6  1  0.939  0.578  0.330  1.0
  Mn  Mn7  1  0.261  0.913  0.668  1.0
  Mn  Mn8  1  0.739  0.085  0.327  1.0
  Mn  Mn9  1  0.066  0.430  0.665  1.0
  Mn  Mn10  1  0.403  0.763  0.005  1.0
  B  B11  1  0.845  0.834  0.112  1.0
  B  B12  1  0.487  0.479  0.224  1.0
  B  B13  1  0.823  0.818  0.551  1.0
  B  B14  1  0.184  0.199  0.445  1.0
  B  B15  1  0.509  0.519  0.782  1.0
  B  B16  1  0.152  0.146  0.889  1.0
  O  O17  1  0.617  0.936  0.091  1.0
  O  O18  1  0.004  0.719  0.031  1.0
  O  O19  1  0.404  0.461  0.122  1.0
  O  O20  1  0.904  0.844  0.221  1.0
  O  O21  1  0.332  0.571  0.314  1.0
  O  O22  1  0.744  0.403  0.231  1.0
  O  O23  1  0.074  0.741  0.563  1.0
  O  O24  1  0.734  0.780  0.453  1.0
  O  O25  1  0.673  0.939  0.633  1.0
  O  O26  1  0.332  0.079  0.365  1.0
  O  O27  1  0.261  0.226  0.548  1.0
  O  O28  1  0.931  0.285  0.429  1.0
  O  O29  1  0.259  0.599  0.769  1.0
  O  O30  1  0.657  0.399  0.699  1.0
  O  O31  1  0.056  0.110  0.792  1.0
  O  O32  1  0.600  0.555  0.880  1.0
  O  O33  1  0.010  0.270  0.971  1.0
  O  O34  1  0.402  0.065  0.900  1.0
[/CIF]
.
The material described by Li5Mn6(BO3)6 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(17), one O(2), one O(3), and one O(6) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(10), one O(5), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(14), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Mn(5)O5 trigonal bipyramids,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(13), one O(16), one O(17), and one O(2) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with two equivalent Mn(6)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(14), one O(15), one O(18), 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(6)O5 trigonal bipyramid, corners with two equivalent Mn(3)O5 trigonal bipyramids,  an edgeedge with one Mn(5)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(16), one O(17), one O(18), and one O(3) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(5)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Mn(6)O5 trigonal bipyramids, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(12), one O(4), one O(5), one O(6), and one O(8) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and edges with two equivalent Mn(4)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(11), one O(13), one O(15), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, corners with two equivalent Li(5)O4 trigonal pyramids, edges with two equivalent Mn(5)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(4), one O(6), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  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, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(13), one O(14), one O(15), and one O(7) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, corners with two equivalent Li(3)O4 trigonal pyramids, edges with two equivalent Mn(3)O5 trigonal bipyramids, 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(16), one O(18), one O(2), and one O(3) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(5)O4 trigonal pyramid, corners with two equivalent Li(4)O4 trigonal pyramids, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), 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(7), one O(8), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(13), one O(14), and one O(16) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(15), one O(17), and one O(18) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(6), and one B(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Mn(6), and one B(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(6), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Mn(2), one Mn(4), and one B(2) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the seventh O site, O(7) is bonded to one Li(2), one Mn(3), one Mn(5), and one B(3) 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(2), one Mn(4), and one B(3) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Mn(3), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(4), and one B(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Mn(3), one Mn(5), and one B(4) atom. In the twelfth O site, O(12) is bonded to one Li(3), one Mn(2), one Mn(4), and one B(4) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(4), one Mn(3), one Mn(5), and one B(5) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Mn(5), and one B(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(5), one Mn(3), one Mn(5), and one B(6) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Mn(6), and one B(5) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Mn(1), and one B(6) atom. In the eighteenth O site, O(18) is bonded in a distorted tetrahedral geometry to one Li(5), one Mn(1), one Mn(6), and one B(6) atom. is represented by the CIF file [CIF]
data_Li5Mn6(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   6.205
_cell_length_c   12.011
_cell_angle_alpha   84.795
_cell_angle_beta   78.482
_cell_angle_gamma   87.203
_symmetry_Int_Tables_number   1
_cell_volume   379.112
_cell_formula_units_Z   1
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  0.042  0.418  0.100  1.0
  Li  Li1  1  0.362  0.772  0.424  1.0
  Li  Li2  1  0.631  0.252  0.564  1.0
  Li  Li3  1  0.967  0.578  0.899  1.0
  Li  Li4  1  0.698  0.087  0.768  1.0
  Mn  Mn5  1  0.597  0.247  0.003  1.0
  Mn  Mn6  1  0.939  0.578  0.330  1.0
  Mn  Mn7  1  0.261  0.913  0.668  1.0
  Mn  Mn8  1  0.739  0.085  0.327  1.0
  Mn  Mn9  1  0.066  0.430  0.665  1.0
  Mn  Mn10  1  0.403  0.763  0.005  1.0
  B  B11  1  0.845  0.834  0.112  1.0
  B  B12  1  0.487  0.479  0.224  1.0
  B  B13  1  0.823  0.818  0.551  1.0
  B  B14  1  0.184  0.199  0.445  1.0
  B  B15  1  0.509  0.519  0.782  1.0
  B  B16  1  0.152  0.146  0.889  1.0
  O  O17  1  0.617  0.936  0.091  1.0
  O  O18  1  0.004  0.719  0.031  1.0
  O  O19  1  0.404  0.461  0.122  1.0
  O  O20  1  0.904  0.844  0.221  1.0
  O  O21  1  0.332  0.571  0.314  1.0
  O  O22  1  0.744  0.403  0.231  1.0
  O  O23  1  0.074  0.741  0.563  1.0
  O  O24  1  0.734  0.780  0.453  1.0
  O  O25  1  0.673  0.939  0.633  1.0
  O  O26  1  0.332  0.079  0.365  1.0
  O  O27  1  0.261  0.226  0.548  1.0
  O  O28  1  0.931  0.285  0.429  1.0
  O  O29  1  0.259  0.599  0.769  1.0
  O  O30  1  0.657  0.399  0.699  1.0
  O  O31  1  0.056  0.110  0.792  1.0
  O  O32  1  0.600  0.555  0.880  1.0
  O  O33  1  0.010  0.270  0.971  1.0
  O  O34  1  0.402  0.065  0.900  1.0
[/CIF]
.