The structure described by Li2Mn(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(6), two equivalent O(2), and three equivalent O(4) atoms to form distorted LiO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra and edges with four equivalent Li(1)O6 octahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(5), one O(6), and two equivalent O(3) atoms. Mn(1) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. There are two 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(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one B(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one Mn(1), and one B(2) atom to form distorted OLi2MnB tetrahedra that share corners with two equivalent O(3)Li2MnB tetrahedra and corners with four equivalent O(6)Li2Mn2 trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Mn(1), and one B(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), and two equivalent Mn(1) atoms to form distorted OLi2Mn2 trigonal pyramids that share corners with four equivalent O(3)Li2MnB tetrahedra and corners with two equivalent O(6)Li2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_Li2Mn(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.607
_cell_length_b   3.003
_cell_length_c   9.157
_cell_angle_alpha   87.444
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.240
_cell_formula_units_Z   4
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  0.040  0.723  0.888  1.0
  Li  Li1  1  0.252  0.698  0.893  1.0
  Li  Li2  1  0.460  0.723  0.388  1.0
  Li  Li3  1  0.248  0.698  0.393  1.0
  Li  Li4  1  0.752  0.302  0.607  1.0
  Li  Li5  1  0.540  0.277  0.612  1.0
  Li  Li6  1  0.748  0.302  0.107  1.0
  Li  Li7  1  0.960  0.277  0.112  1.0
  Mn  Mn8  1  0.632  0.822  0.877  1.0
  Mn  Mn9  1  0.868  0.822  0.377  1.0
  Mn  Mn10  1  0.132  0.178  0.623  1.0
  Mn  Mn11  1  0.368  0.178  0.123  1.0
  B  B12  1  0.424  0.844  0.839  1.0
  B  B13  1  0.843  0.855  0.895  1.0
  B  B14  1  0.076  0.844  0.339  1.0
  B  B15  1  0.657  0.855  0.395  1.0
  B  B16  1  0.343  0.145  0.605  1.0
  B  B17  1  0.924  0.156  0.661  1.0
  B  B18  1  0.157  0.145  0.105  1.0
  B  B19  1  0.576  0.156  0.161  1.0
  O  O20  1  0.348  0.984  0.755  1.0
  O  O21  1  0.510  0.841  0.788  1.0
  O  O22  1  0.152  0.984  0.255  1.0
  O  O23  1  0.755  0.816  0.958  1.0
  O  O24  1  0.990  0.841  0.288  1.0
  O  O25  1  0.745  0.816  0.458  1.0
  O  O26  1  0.915  0.745  0.975  1.0
  O  O27  1  0.400  0.710  0.984  1.0
  O  O28  1  0.159  0.667  0.743  1.0
  O  O29  1  0.585  0.745  0.475  1.0
  O  O30  1  0.100  0.710  0.484  1.0
  O  O31  1  0.341  0.667  0.243  1.0
  O  O32  1  0.659  0.333  0.757  1.0
  O  O33  1  0.900  0.290  0.516  1.0
  O  O34  1  0.415  0.255  0.525  1.0
  O  O35  1  0.841  0.333  0.257  1.0
  O  O36  1  0.600  0.290  0.016  1.0
  O  O37  1  0.085  0.255  0.025  1.0
  O  O38  1  0.255  0.184  0.542  1.0
  O  O39  1  0.010  0.159  0.712  1.0
  O  O40  1  0.245  0.184  0.042  1.0
  O  O41  1  0.848  0.016  0.745  1.0
  O  O42  1  0.490  0.159  0.212  1.0
  O  O43  1  0.652  0.016  0.245  1.0
[/CIF]
.
The structure described by Li2Mn(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(6), two equivalent O(2), and three equivalent O(4) atoms to form distorted LiO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra and edges with four equivalent Li(1)O6 octahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(5), one O(6), and two equivalent O(3) atoms. Mn(1) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. There are two 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(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one B(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one Mn(1), and one B(2) atom to form distorted OLi2MnB tetrahedra that share corners with two equivalent O(3)Li2MnB tetrahedra and corners with four equivalent O(6)Li2Mn2 trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Mn(1), and one B(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), and two equivalent Mn(1) atoms to form distorted OLi2Mn2 trigonal pyramids that share corners with four equivalent O(3)Li2MnB tetrahedra and corners with two equivalent O(6)Li2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_Li2Mn(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.607
_cell_length_b   3.003
_cell_length_c   9.157
_cell_angle_alpha   87.444
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.240
_cell_formula_units_Z   4
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  0.040  0.723  0.888  1.0
  Li  Li1  1  0.252  0.698  0.893  1.0
  Li  Li2  1  0.460  0.723  0.388  1.0
  Li  Li3  1  0.248  0.698  0.393  1.0
  Li  Li4  1  0.752  0.302  0.607  1.0
  Li  Li5  1  0.540  0.277  0.612  1.0
  Li  Li6  1  0.748  0.302  0.107  1.0
  Li  Li7  1  0.960  0.277  0.112  1.0
  Mn  Mn8  1  0.632  0.822  0.877  1.0
  Mn  Mn9  1  0.868  0.822  0.377  1.0
  Mn  Mn10  1  0.132  0.178  0.623  1.0
  Mn  Mn11  1  0.368  0.178  0.123  1.0
  B  B12  1  0.424  0.844  0.839  1.0
  B  B13  1  0.843  0.855  0.895  1.0
  B  B14  1  0.076  0.844  0.339  1.0
  B  B15  1  0.657  0.855  0.395  1.0
  B  B16  1  0.343  0.145  0.605  1.0
  B  B17  1  0.924  0.156  0.661  1.0
  B  B18  1  0.157  0.145  0.105  1.0
  B  B19  1  0.576  0.156  0.161  1.0
  O  O20  1  0.348  0.984  0.755  1.0
  O  O21  1  0.510  0.841  0.788  1.0
  O  O22  1  0.152  0.984  0.255  1.0
  O  O23  1  0.755  0.816  0.958  1.0
  O  O24  1  0.990  0.841  0.288  1.0
  O  O25  1  0.745  0.816  0.458  1.0
  O  O26  1  0.915  0.745  0.975  1.0
  O  O27  1  0.400  0.710  0.984  1.0
  O  O28  1  0.159  0.667  0.743  1.0
  O  O29  1  0.585  0.745  0.475  1.0
  O  O30  1  0.100  0.710  0.484  1.0
  O  O31  1  0.341  0.667  0.243  1.0
  O  O32  1  0.659  0.333  0.757  1.0
  O  O33  1  0.900  0.290  0.516  1.0
  O  O34  1  0.415  0.255  0.525  1.0
  O  O35  1  0.841  0.333  0.257  1.0
  O  O36  1  0.600  0.290  0.016  1.0
  O  O37  1  0.085  0.255  0.025  1.0
  O  O38  1  0.255  0.184  0.542  1.0
  O  O39  1  0.010  0.159  0.712  1.0
  O  O40  1  0.245  0.184  0.042  1.0
  O  O41  1  0.848  0.016  0.745  1.0
  O  O42  1  0.490  0.159  0.212  1.0
  O  O43  1  0.652  0.016  0.245  1.0
[/CIF]
.