The compound described by Li4Mn(BO3)2 crystallizes in the orthorhombic Pmn2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), one O(6), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share corners with three equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(3)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(5), one O(6), and two equivalent O(4) atoms to form distorted LiO5 trigonal bipyramids that share corners with three equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(4)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-78°. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-78°. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. B(1,2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2); one Li(3); two equivalent Mn(1); and one B(1,2) atom to form distorted OLi2Mn2B trigonal bipyramids that share  a cornercorner with one O(6)Li4B trigonal bipyramid, corners with two equivalent O(1)Li2Mn2B trigonal bipyramids, corners with two equivalent O(2)Li2Mn2B trigonal bipyramids, corners with two equivalent O(5)Li4B trigonal bipyramids,  an edgeedge with one O(2)Li2Mn2B trigonal bipyramid, and  an edgeedge with one O(5)Li4B trigonal bipyramid. In the second O site, O(2) is bonded to one Li(1); one Li(4); two equivalent Mn(1); and one B(1,2) atom to form distorted OLi2Mn2B trigonal bipyramids that share  a cornercorner with one O(5)Li4B trigonal bipyramid, corners with two equivalent O(1)Li2Mn2B trigonal bipyramids, corners with two equivalent O(2)Li2Mn2B trigonal bipyramids, corners with two equivalent O(6)Li4B trigonal bipyramids,  an edgeedge with one O(1)Li2Mn2B trigonal bipyramid, and  an edgeedge with one O(6)Li4B trigonal bipyramid. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(3); two equivalent Li(1); one Mn(1); and one B(1,2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(4); two equivalent Li(2); one Mn(1); and one B(1,2) atom. In the fifth O site, O(5) is bonded to one Li(1); one Li(2); two equivalent Li(3); and one B(1,2) atom to form distorted OLi4B trigonal bipyramids that share  a cornercorner with one O(2)Li2Mn2B trigonal bipyramid, corners with two equivalent O(1)Li2Mn2B trigonal bipyramids, corners with two equivalent O(5)Li4B trigonal bipyramids,  an edgeedge with one O(1)Li2Mn2B trigonal bipyramid, and  an edgeedge with one O(6)Li4B trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(1); one Li(2); two equivalent Li(4); and one B(1,2) atom to form distorted OLi4B trigonal bipyramids that share  a cornercorner with one O(1)Li2Mn2B trigonal bipyramid, corners with two equivalent O(2)Li2Mn2B trigonal bipyramids, corners with two equivalent O(6)Li4B trigonal bipyramids,  an edgeedge with one O(2)Li2Mn2B trigonal bipyramid, and  an edgeedge with one O(5)Li4B trigonal bipyramid. is represented by the CIF file [CIF]
data_Li4Mn(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.370
_cell_length_b   7.972
_cell_length_c   9.363
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.526
_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
  B  B0  1  0.500  0.768  0.799  1.0
  B  B1  1  1.000  0.268  0.701  1.0
  B  B2  1  1.000  0.732  0.299  1.0
  B  B3  1  0.500  0.232  0.201  1.0
  Li  Li4  1  0.500  0.171  0.944  1.0
  Li  Li5  1  1.000  0.671  0.556  1.0
  Li  Li6  1  1.000  0.329  0.444  1.0
  Li  Li7  1  0.500  0.829  0.056  1.0
  Li  Li8  1  1.000  0.007  0.797  1.0
  Li  Li9  1  0.500  0.507  0.702  1.0
  Li  Li10  1  0.500  0.493  0.297  1.0
  Li  Li11  1  1.000  0.993  0.203  1.0
  Mn  Mn12  1  0.000  0.500  1.000  1.0
  Mn  Mn13  1  0.500  1.000  0.500  1.0
  O  O14  1  0.500  0.623  0.886  1.0
  O  O15  1  0.000  0.123  0.614  1.0
  O  O16  1  0.000  0.877  0.386  1.0
  O  O17  1  0.500  0.377  0.114  1.0
  O  O18  1  1.000  0.251  0.849  1.0
  O  O19  1  0.500  0.751  0.651  1.0
  O  O20  1  0.500  0.249  0.349  1.0
  O  O21  1  1.000  0.749  0.151  1.0
  O  O22  1  0.500  0.923  0.863  1.0
  O  O23  1  1.000  0.423  0.637  1.0
  O  O24  1  1.000  0.577  0.363  1.0
  O  O25  1  0.500  0.077  0.138  1.0
[/CIF]
.
The compound described by Li4Mn(BO3)2 crystallizes in the orthorhombic Pmn2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), one O(6), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share corners with three equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(3)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(5), one O(6), and two equivalent O(4) atoms to form distorted LiO5 trigonal bipyramids that share corners with three equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(4)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-78°. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-78°. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. B(1,2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2); one Li(3); two equivalent Mn(1); and one B(1,2) atom to form distorted OLi2Mn2B trigonal bipyramids that share  a cornercorner with one O(6)Li4B trigonal bipyramid, corners with two equivalent O(1)Li2Mn2B trigonal bipyramids, corners with two equivalent O(2)Li2Mn2B trigonal bipyramids, corners with two equivalent O(5)Li4B trigonal bipyramids,  an edgeedge with one O(2)Li2Mn2B trigonal bipyramid, and  an edgeedge with one O(5)Li4B trigonal bipyramid. In the second O site, O(2) is bonded to one Li(1); one Li(4); two equivalent Mn(1); and one B(1,2) atom to form distorted OLi2Mn2B trigonal bipyramids that share  a cornercorner with one O(5)Li4B trigonal bipyramid, corners with two equivalent O(1)Li2Mn2B trigonal bipyramids, corners with two equivalent O(2)Li2Mn2B trigonal bipyramids, corners with two equivalent O(6)Li4B trigonal bipyramids,  an edgeedge with one O(1)Li2Mn2B trigonal bipyramid, and  an edgeedge with one O(6)Li4B trigonal bipyramid. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(3); two equivalent Li(1); one Mn(1); and one B(1,2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(4); two equivalent Li(2); one Mn(1); and one B(1,2) atom. In the fifth O site, O(5) is bonded to one Li(1); one Li(2); two equivalent Li(3); and one B(1,2) atom to form distorted OLi4B trigonal bipyramids that share  a cornercorner with one O(2)Li2Mn2B trigonal bipyramid, corners with two equivalent O(1)Li2Mn2B trigonal bipyramids, corners with two equivalent O(5)Li4B trigonal bipyramids,  an edgeedge with one O(1)Li2Mn2B trigonal bipyramid, and  an edgeedge with one O(6)Li4B trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(1); one Li(2); two equivalent Li(4); and one B(1,2) atom to form distorted OLi4B trigonal bipyramids that share  a cornercorner with one O(1)Li2Mn2B trigonal bipyramid, corners with two equivalent O(2)Li2Mn2B trigonal bipyramids, corners with two equivalent O(6)Li4B trigonal bipyramids,  an edgeedge with one O(2)Li2Mn2B trigonal bipyramid, and  an edgeedge with one O(5)Li4B trigonal bipyramid. is represented by the CIF file [CIF]
data_Li4Mn(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.370
_cell_length_b   7.972
_cell_length_c   9.363
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.526
_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
  B  B0  1  0.500  0.768  0.799  1.0
  B  B1  1  1.000  0.268  0.701  1.0
  B  B2  1  1.000  0.732  0.299  1.0
  B  B3  1  0.500  0.232  0.201  1.0
  Li  Li4  1  0.500  0.171  0.944  1.0
  Li  Li5  1  1.000  0.671  0.556  1.0
  Li  Li6  1  1.000  0.329  0.444  1.0
  Li  Li7  1  0.500  0.829  0.056  1.0
  Li  Li8  1  1.000  0.007  0.797  1.0
  Li  Li9  1  0.500  0.507  0.702  1.0
  Li  Li10  1  0.500  0.493  0.297  1.0
  Li  Li11  1  1.000  0.993  0.203  1.0
  Mn  Mn12  1  0.000  0.500  1.000  1.0
  Mn  Mn13  1  0.500  1.000  0.500  1.0
  O  O14  1  0.500  0.623  0.886  1.0
  O  O15  1  0.000  0.123  0.614  1.0
  O  O16  1  0.000  0.877  0.386  1.0
  O  O17  1  0.500  0.377  0.114  1.0
  O  O18  1  1.000  0.251  0.849  1.0
  O  O19  1  0.500  0.751  0.651  1.0
  O  O20  1  0.500  0.249  0.349  1.0
  O  O21  1  1.000  0.749  0.151  1.0
  O  O22  1  0.500  0.923  0.863  1.0
  O  O23  1  1.000  0.423  0.637  1.0
  O  O24  1  1.000  0.577  0.363  1.0
  O  O25  1  0.500  0.077  0.138  1.0
[/CIF]
.