The compound described by Li7Mn8(BO3)8 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(2), one O(3), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  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, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(10), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(7)O5 trigonal bipyramid, corners with two equivalent Mn(5)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(11), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  a cornercorner with one Mn(8)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(1), one O(17), one O(19), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Mn(6)O5 trigonal bipyramids, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded to one O(14), one O(20), one O(22), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(7)O5 trigonal bipyramid, corners with two equivalent Mn(8)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(15), one O(17), one O(18), and one O(21) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid, corners with two equivalent Mn(4)O5 trigonal bipyramids, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(12), one O(18), one O(20), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with two equivalent Mn(7)O5 trigonal bipyramids, and  an edgeedge with one Mn(8)O5 trigonal bipyramid. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(14), one O(2), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(2), one O(21), one O(4), one O(5), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(14), one O(16), and one O(7) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(13), one O(15), one O(17), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Mn(5)O5 trigonal bipyramid, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(12), one O(13), one O(16), and one O(3) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the sixth Mn site, Mn(6) is bonded to one O(11), one O(15), one O(19), one O(24), 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(6)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(8)O5 trigonal bipyramid. In the seventh Mn site, Mn(7) is bonded to one O(18), one O(21), one O(22), one O(23), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(8)O5 trigonal bipyramid. In the eighth Mn site, Mn(8) is bonded to one O(11), one O(20), one O(22), one O(23), and one O(24) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Mn(7)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(19), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(23), one O(3), 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(6), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(13), one O(15), and one O(8) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(18) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(14), one O(16), and one O(20) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(17), one O(2), and one O(21) 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 to one Li(4), one Mn(1), one Mn(3), and one B(1) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one B(7) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(5), and one B(2) atom to form distorted corner-sharing OLi2MnB tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Mn(7), and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(3), one Li(5), one Mn(1), and one B(3) atom to form distorted OLi2MnB trigonal pyramids that share  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(22)LiMn2B tetrahedra, corners with two equivalent O(11)LiMn2B tetrahedra, and  a cornercorner with one O(20)Li2MnB trigonal pyramid. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(3), and one B(8) atom. In the eighth O site, O(8) 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 ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(4), one Mn(6), and one B(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Mn(3), one Mn(5), and one B(5) atom. In the eleventh O site, O(11) is bonded to one Li(3), one Mn(6), one Mn(8), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(22)LiMn2B tetrahedra,  a cornercorner with one O(20)Li2MnB trigonal pyramid, and corners with two equivalent O(6)Li2MnB trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(7), one Mn(4), one Mn(5), and one B(5) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(4), one Mn(5), and one B(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(5), one Mn(1), one Mn(3), and one B(6) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(6), one Mn(4), one Mn(6), and one B(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one B(6) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(6), one Mn(4), and one B(7) atom. In the eighteenth O site, O(18) is bonded to one Li(6), one Li(7), one Mn(7), and one B(5) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(22)LiMn2B tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, and  a cornercorner with one O(20)Li2MnB trigonal pyramid. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(6), and one B(1) atom. In the twentieth O site, O(20) is bonded to one Li(5), one Li(7), one Mn(8), and one B(6) atom to form distorted OLi2MnB trigonal pyramids that share  a cornercorner with one O(18)Li2MnB tetrahedra,  a cornercorner with one O(11)LiMn2B tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra, corners with two equivalent O(22)LiMn2B tetrahedra, and  a cornercorner with one O(6)Li2MnB trigonal pyramid. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Mn(2), one Mn(7), and one B(7) atom. In the twenty-second O site, O(22) is bonded to one Li(5), one Mn(7), one Mn(8), and one B(8) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(18)Li2MnB tetrahedra,  a cornercorner with one O(11)LiMn2B tetrahedra,  a cornercorner with one O(6)Li2MnB trigonal pyramid, and corners with two equivalent O(20)Li2MnB trigonal pyramids. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Li(7), one Mn(7), one Mn(8), and one B(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Mn(6), one Mn(8), and one B(8) atom. is represented by the CIF card [CIF]
data_Li7Mn8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.286
_cell_length_b   9.103
_cell_length_c   11.628
_cell_angle_alpha   112.841
_cell_angle_beta   101.673
_cell_angle_gamma   89.530
_symmetry_Int_Tables_number   1
_cell_volume   503.438
_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  0.131  0.297  0.585  1.0
  Li  Li1  1  0.328  0.184  0.335  1.0
  Li  Li2  1  0.573  0.401  0.837  1.0
  Li  Li3  1  0.074  0.902  0.833  1.0
  Li  Li4  1  0.391  0.546  0.085  1.0
  Li  Li5  1  0.638  0.801  0.593  1.0
  Li  Li6  1  0.829  0.678  0.326  1.0
  Mn  Mn7  1  0.088  0.598  0.872  1.0
  Mn  Mn8  1  0.645  0.474  0.620  1.0
  Mn  Mn9  1  0.385  0.903  0.115  1.0
  Mn  Mn10  1  0.147  0.976  0.617  1.0
  Mn  Mn11  1  0.846  0.018  0.361  1.0
  Mn  Mn12  1  0.597  0.087  0.872  1.0
  Mn  Mn13  1  0.347  0.535  0.373  1.0
  Mn  Mn14  1  0.909  0.374  0.120  1.0
  B  B15  1  0.594  0.758  0.869  1.0
  B  B16  1  0.853  0.354  0.370  1.0
  B  B17  1  0.115  0.264  0.882  1.0
  B  B18  1  0.648  0.144  0.627  1.0
  B  B19  1  0.361  0.863  0.377  1.0
  B  B20  1  0.894  0.725  0.124  1.0
  B  B21  1  0.143  0.643  0.625  1.0
  B  B22  1  0.393  0.250  0.129  1.0
  O  O23  1  0.354  0.790  0.905  1.0
  O  O24  1  0.054  0.523  0.658  1.0
  O  O25  1  0.014  0.244  0.393  1.0
  O  O26  1  0.678  0.603  0.835  1.0
  O  O27  1  0.615  0.374  0.406  1.0
  O  O28  1  0.256  0.395  0.891  1.0
  O  O29  1  0.279  0.133  0.150  1.0
  O  O30  1  0.506  0.277  0.643  1.0
  O  O31  1  0.191  0.110  0.833  1.0
  O  O32  1  0.436  0.979  0.339  1.0
  O  O33  1  0.879  0.286  0.927  1.0
  O  O34  1  0.115  0.861  0.406  1.0
  O  O35  1  0.877  0.133  0.583  1.0
  O  O36  1  0.128  0.706  0.083  1.0
  O  O37  1  0.561  0.024  0.661  1.0
  O  O38  1  0.786  0.871  0.160  1.0
  O  O39  1  0.007  0.776  0.638  1.0
  O  O40  1  0.526  0.748  0.392  1.0
  O  O41  1  0.742  0.877  0.863  1.0
  O  O42  1  0.772  0.596  0.135  1.0
  O  O43  1  0.372  0.627  0.579  1.0
  O  O44  1  0.293  0.403  0.161  1.0
  O  O45  1  0.934  0.454  0.313  1.0
  O  O46  1  0.608  0.227  0.075  1.0
[/CIF]
.
The compound described by Li7Mn8(BO3)8 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(2), one O(3), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  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, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(10), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(7)O5 trigonal bipyramid, corners with two equivalent Mn(5)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(11), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  a cornercorner with one Mn(8)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(1), one O(17), one O(19), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Mn(6)O5 trigonal bipyramids, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded to one O(14), one O(20), one O(22), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(7)O5 trigonal bipyramid, corners with two equivalent Mn(8)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(15), one O(17), one O(18), and one O(21) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid, corners with two equivalent Mn(4)O5 trigonal bipyramids, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(12), one O(18), one O(20), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with two equivalent Mn(7)O5 trigonal bipyramids, and  an edgeedge with one Mn(8)O5 trigonal bipyramid. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(14), one O(2), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(2), one O(21), one O(4), one O(5), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(14), one O(16), and one O(7) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(13), one O(15), one O(17), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Mn(5)O5 trigonal bipyramid, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(12), one O(13), one O(16), and one O(3) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the sixth Mn site, Mn(6) is bonded to one O(11), one O(15), one O(19), one O(24), 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(6)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(8)O5 trigonal bipyramid. In the seventh Mn site, Mn(7) is bonded to one O(18), one O(21), one O(22), one O(23), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(8)O5 trigonal bipyramid. In the eighth Mn site, Mn(8) is bonded to one O(11), one O(20), one O(22), one O(23), and one O(24) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Mn(7)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(19), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(23), one O(3), 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(6), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(13), one O(15), and one O(8) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(18) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(14), one O(16), and one O(20) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(17), one O(2), and one O(21) 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 to one Li(4), one Mn(1), one Mn(3), and one B(1) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one B(7) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(5), and one B(2) atom to form distorted corner-sharing OLi2MnB tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Mn(7), and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(3), one Li(5), one Mn(1), and one B(3) atom to form distorted OLi2MnB trigonal pyramids that share  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(22)LiMn2B tetrahedra, corners with two equivalent O(11)LiMn2B tetrahedra, and  a cornercorner with one O(20)Li2MnB trigonal pyramid. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(3), and one B(8) atom. In the eighth O site, O(8) 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 ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(4), one Mn(6), and one B(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Mn(3), one Mn(5), and one B(5) atom. In the eleventh O site, O(11) is bonded to one Li(3), one Mn(6), one Mn(8), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(22)LiMn2B tetrahedra,  a cornercorner with one O(20)Li2MnB trigonal pyramid, and corners with two equivalent O(6)Li2MnB trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(7), one Mn(4), one Mn(5), and one B(5) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(4), one Mn(5), and one B(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(5), one Mn(1), one Mn(3), and one B(6) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(6), one Mn(4), one Mn(6), and one B(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one B(6) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(6), one Mn(4), and one B(7) atom. In the eighteenth O site, O(18) is bonded to one Li(6), one Li(7), one Mn(7), and one B(5) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(22)LiMn2B tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, and  a cornercorner with one O(20)Li2MnB trigonal pyramid. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(6), and one B(1) atom. In the twentieth O site, O(20) is bonded to one Li(5), one Li(7), one Mn(8), and one B(6) atom to form distorted OLi2MnB trigonal pyramids that share  a cornercorner with one O(18)Li2MnB tetrahedra,  a cornercorner with one O(11)LiMn2B tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra, corners with two equivalent O(22)LiMn2B tetrahedra, and  a cornercorner with one O(6)Li2MnB trigonal pyramid. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Mn(2), one Mn(7), and one B(7) atom. In the twenty-second O site, O(22) is bonded to one Li(5), one Mn(7), one Mn(8), and one B(8) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(18)Li2MnB tetrahedra,  a cornercorner with one O(11)LiMn2B tetrahedra,  a cornercorner with one O(6)Li2MnB trigonal pyramid, and corners with two equivalent O(20)Li2MnB trigonal pyramids. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Li(7), one Mn(7), one Mn(8), and one B(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Mn(6), one Mn(8), and one B(8) atom. is represented by the CIF card [CIF]
data_Li7Mn8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.286
_cell_length_b   9.103
_cell_length_c   11.628
_cell_angle_alpha   112.841
_cell_angle_beta   101.673
_cell_angle_gamma   89.530
_symmetry_Int_Tables_number   1
_cell_volume   503.438
_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  0.131  0.297  0.585  1.0
  Li  Li1  1  0.328  0.184  0.335  1.0
  Li  Li2  1  0.573  0.401  0.837  1.0
  Li  Li3  1  0.074  0.902  0.833  1.0
  Li  Li4  1  0.391  0.546  0.085  1.0
  Li  Li5  1  0.638  0.801  0.593  1.0
  Li  Li6  1  0.829  0.678  0.326  1.0
  Mn  Mn7  1  0.088  0.598  0.872  1.0
  Mn  Mn8  1  0.645  0.474  0.620  1.0
  Mn  Mn9  1  0.385  0.903  0.115  1.0
  Mn  Mn10  1  0.147  0.976  0.617  1.0
  Mn  Mn11  1  0.846  0.018  0.361  1.0
  Mn  Mn12  1  0.597  0.087  0.872  1.0
  Mn  Mn13  1  0.347  0.535  0.373  1.0
  Mn  Mn14  1  0.909  0.374  0.120  1.0
  B  B15  1  0.594  0.758  0.869  1.0
  B  B16  1  0.853  0.354  0.370  1.0
  B  B17  1  0.115  0.264  0.882  1.0
  B  B18  1  0.648  0.144  0.627  1.0
  B  B19  1  0.361  0.863  0.377  1.0
  B  B20  1  0.894  0.725  0.124  1.0
  B  B21  1  0.143  0.643  0.625  1.0
  B  B22  1  0.393  0.250  0.129  1.0
  O  O23  1  0.354  0.790  0.905  1.0
  O  O24  1  0.054  0.523  0.658  1.0
  O  O25  1  0.014  0.244  0.393  1.0
  O  O26  1  0.678  0.603  0.835  1.0
  O  O27  1  0.615  0.374  0.406  1.0
  O  O28  1  0.256  0.395  0.891  1.0
  O  O29  1  0.279  0.133  0.150  1.0
  O  O30  1  0.506  0.277  0.643  1.0
  O  O31  1  0.191  0.110  0.833  1.0
  O  O32  1  0.436  0.979  0.339  1.0
  O  O33  1  0.879  0.286  0.927  1.0
  O  O34  1  0.115  0.861  0.406  1.0
  O  O35  1  0.877  0.133  0.583  1.0
  O  O36  1  0.128  0.706  0.083  1.0
  O  O37  1  0.561  0.024  0.661  1.0
  O  O38  1  0.786  0.871  0.160  1.0
  O  O39  1  0.007  0.776  0.638  1.0
  O  O40  1  0.526  0.748  0.392  1.0
  O  O41  1  0.742  0.877  0.863  1.0
  O  O42  1  0.772  0.596  0.135  1.0
  O  O43  1  0.372  0.627  0.579  1.0
  O  O44  1  0.293  0.403  0.161  1.0
  O  O45  1  0.934  0.454  0.313  1.0
  O  O46  1  0.608  0.227  0.075  1.0
[/CIF]
.