The material described by Li3Mn(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form LiO4 trigonal pyramids that share edges with two equivalent Mn(1)O5 square pyramids. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded in a distorted bent 120 degrees geometry to one O(3), one O(4), and one O(5) atom. Mn(1) is bonded to one O(1), one O(5), one O(6), and two equivalent O(2) atoms to form distorted MnO5 square pyramids that share  an edgeedge with one Mn(1)O5 square pyramid and edges with two equivalent Li(1)O4 trigonal pyramids. 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(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) 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 Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one B(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and one B(1) atom to form corner-sharing OLi3B tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(1), and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), and one B(2) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. is represented by the CIF card [CIF]
data_Li3Mn(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.037
_cell_length_b   6.128
_cell_length_c   10.936
_cell_angle_alpha   62.975
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   479.829
_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  0.213  0.808  0.645  1.0
  Li  Li1  1  0.705  0.659  0.868  1.0
  Li  Li2  1  0.050  0.372  0.898  1.0
  Li  Li3  1  0.550  0.628  0.602  1.0
  Li  Li4  1  0.205  0.341  0.632  1.0
  Li  Li5  1  0.713  0.192  0.855  1.0
  Li  Li6  1  0.287  0.808  0.145  1.0
  Li  Li7  1  0.795  0.659  0.368  1.0
  Li  Li8  1  0.450  0.372  0.398  1.0
  Li  Li9  1  0.950  0.628  0.102  1.0
  Li  Li10  1  0.295  0.341  0.132  1.0
  Li  Li11  1  0.787  0.192  0.355  1.0
  Mn  Mn12  1  0.092  0.933  0.380  1.0
  Mn  Mn13  1  0.592  0.067  0.120  1.0
  Mn  Mn14  1  0.408  0.933  0.880  1.0
  Mn  Mn15  1  0.908  0.067  0.620  1.0
  B  B16  1  0.362  0.436  0.851  1.0
  B  B17  1  0.930  0.128  0.131  1.0
  B  B18  1  0.430  0.872  0.369  1.0
  B  B19  1  0.862  0.564  0.649  1.0
  B  B20  1  0.138  0.436  0.351  1.0
  B  B21  1  0.570  0.128  0.631  1.0
  B  B22  1  0.070  0.872  0.869  1.0
  B  B23  1  0.638  0.564  0.149  1.0
  O  O24  1  0.411  0.620  0.882  1.0
  O  O25  1  0.955  0.783  0.587  1.0
  O  O26  1  0.732  0.538  0.734  1.0
  O  O27  1  0.077  0.245  0.092  1.0
  O  O28  1  0.314  0.874  0.464  1.0
  O  O29  1  0.886  0.003  0.271  1.0
  O  O30  1  0.386  0.997  0.229  1.0
  O  O31  1  0.814  0.126  0.036  1.0
  O  O32  1  0.232  0.462  0.766  1.0
  O  O33  1  0.577  0.755  0.408  1.0
  O  O34  1  0.455  0.217  0.913  1.0
  O  O35  1  0.911  0.380  0.618  1.0
  O  O36  1  0.089  0.620  0.382  1.0
  O  O37  1  0.545  0.783  0.087  1.0
  O  O38  1  0.423  0.245  0.592  1.0
  O  O39  1  0.768  0.538  0.234  1.0
  O  O40  1  0.186  0.874  0.964  1.0
  O  O41  1  0.614  0.003  0.771  1.0
  O  O42  1  0.114  0.997  0.729  1.0
  O  O43  1  0.686  0.126  0.536  1.0
  O  O44  1  0.923  0.755  0.908  1.0
  O  O45  1  0.268  0.462  0.266  1.0
  O  O46  1  0.045  0.217  0.413  1.0
  O  O47  1  0.589  0.380  0.118  1.0
[/CIF]
.
The material described by Li3Mn(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form LiO4 trigonal pyramids that share edges with two equivalent Mn(1)O5 square pyramids. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded in a distorted bent 120 degrees geometry to one O(3), one O(4), and one O(5) atom. Mn(1) is bonded to one O(1), one O(5), one O(6), and two equivalent O(2) atoms to form distorted MnO5 square pyramids that share  an edgeedge with one Mn(1)O5 square pyramid and edges with two equivalent Li(1)O4 trigonal pyramids. 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(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) 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 Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one B(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and one B(1) atom to form corner-sharing OLi3B tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(1), and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), and one B(2) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. is represented by the CIF card [CIF]
data_Li3Mn(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.037
_cell_length_b   6.128
_cell_length_c   10.936
_cell_angle_alpha   62.975
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   479.829
_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  0.213  0.808  0.645  1.0
  Li  Li1  1  0.705  0.659  0.868  1.0
  Li  Li2  1  0.050  0.372  0.898  1.0
  Li  Li3  1  0.550  0.628  0.602  1.0
  Li  Li4  1  0.205  0.341  0.632  1.0
  Li  Li5  1  0.713  0.192  0.855  1.0
  Li  Li6  1  0.287  0.808  0.145  1.0
  Li  Li7  1  0.795  0.659  0.368  1.0
  Li  Li8  1  0.450  0.372  0.398  1.0
  Li  Li9  1  0.950  0.628  0.102  1.0
  Li  Li10  1  0.295  0.341  0.132  1.0
  Li  Li11  1  0.787  0.192  0.355  1.0
  Mn  Mn12  1  0.092  0.933  0.380  1.0
  Mn  Mn13  1  0.592  0.067  0.120  1.0
  Mn  Mn14  1  0.408  0.933  0.880  1.0
  Mn  Mn15  1  0.908  0.067  0.620  1.0
  B  B16  1  0.362  0.436  0.851  1.0
  B  B17  1  0.930  0.128  0.131  1.0
  B  B18  1  0.430  0.872  0.369  1.0
  B  B19  1  0.862  0.564  0.649  1.0
  B  B20  1  0.138  0.436  0.351  1.0
  B  B21  1  0.570  0.128  0.631  1.0
  B  B22  1  0.070  0.872  0.869  1.0
  B  B23  1  0.638  0.564  0.149  1.0
  O  O24  1  0.411  0.620  0.882  1.0
  O  O25  1  0.955  0.783  0.587  1.0
  O  O26  1  0.732  0.538  0.734  1.0
  O  O27  1  0.077  0.245  0.092  1.0
  O  O28  1  0.314  0.874  0.464  1.0
  O  O29  1  0.886  0.003  0.271  1.0
  O  O30  1  0.386  0.997  0.229  1.0
  O  O31  1  0.814  0.126  0.036  1.0
  O  O32  1  0.232  0.462  0.766  1.0
  O  O33  1  0.577  0.755  0.408  1.0
  O  O34  1  0.455  0.217  0.913  1.0
  O  O35  1  0.911  0.380  0.618  1.0
  O  O36  1  0.089  0.620  0.382  1.0
  O  O37  1  0.545  0.783  0.087  1.0
  O  O38  1  0.423  0.245  0.592  1.0
  O  O39  1  0.768  0.538  0.234  1.0
  O  O40  1  0.186  0.874  0.964  1.0
  O  O41  1  0.614  0.003  0.771  1.0
  O  O42  1  0.114  0.997  0.729  1.0
  O  O43  1  0.686  0.126  0.536  1.0
  O  O44  1  0.923  0.755  0.908  1.0
  O  O45  1  0.268  0.462  0.266  1.0
  O  O46  1  0.045  0.217  0.413  1.0
  O  O47  1  0.589  0.380  0.118  1.0
[/CIF]
.