The compound described by LiMn3(BO3)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(7), one O(8), and one O(9) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra and edges with two equivalent Mn(3)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(5), two equivalent O(4), and two equivalent O(6) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  an edgeedge with one Li(1)O4 tetrahedra and edges with two equivalent Mn(1)O5 trigonal bipyramids. There are three 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. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(3), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Mn(2), and one B(2) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one B(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.330
_cell_length_b   5.908
_cell_length_c   12.059
_cell_angle_alpha   83.258
_cell_angle_beta   80.146
_cell_angle_gamma   88.208
_symmetry_Int_Tables_number   1
_cell_volume   371.516
_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
  Li  Li0  1  0.704  0.072  0.767  1.0
  Li  Li1  1  0.296  0.928  0.233  1.0
  Mn  Mn2  1  0.292  0.901  0.647  1.0
  Mn  Mn3  1  0.624  0.256  0.995  1.0
  Mn  Mn4  1  0.932  0.588  0.331  1.0
  Mn  Mn5  1  0.376  0.744  0.005  1.0
  Mn  Mn6  1  0.708  0.099  0.353  1.0
  Mn  Mn7  1  0.068  0.412  0.669  1.0
  B  B8  1  0.523  0.520  0.779  1.0
  B  B9  1  0.153  0.126  0.880  1.0
  B  B10  1  0.477  0.480  0.221  1.0
  B  B11  1  0.847  0.874  0.120  1.0
  B  B12  1  0.184  0.179  0.443  1.0
  B  B13  1  0.816  0.821  0.557  1.0
  O  O14  1  0.299  0.615  0.746  1.0
  O  O15  1  0.685  0.396  0.711  1.0
  O  O16  1  0.096  0.101  0.773  1.0
  O  O17  1  0.558  0.538  0.890  1.0
  O  O18  1  0.993  0.234  0.957  1.0
  O  O19  1  0.398  0.047  0.903  1.0
  O  O20  1  0.701  0.385  0.254  1.0
  O  O21  1  0.442  0.462  0.110  1.0
  O  O22  1  0.315  0.604  0.289  1.0
  O  O23  1  0.007  0.766  0.043  1.0
  O  O24  1  0.904  0.899  0.227  1.0
  O  O25  1  0.602  0.953  0.097  1.0
  O  O26  1  0.950  0.270  0.422  1.0
  O  O27  1  0.342  0.080  0.360  1.0
  O  O28  1  0.757  0.813  0.450  1.0
  O  O29  1  0.243  0.187  0.550  1.0
  O  O30  1  0.658  0.920  0.640  1.0
  O  O31  1  0.050  0.730  0.578  1.0
[/CIF]
.
The compound described by LiMn3(BO3)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(7), one O(8), and one O(9) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra and edges with two equivalent Mn(3)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(5), two equivalent O(4), and two equivalent O(6) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  an edgeedge with one Li(1)O4 tetrahedra and edges with two equivalent Mn(1)O5 trigonal bipyramids. There are three 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. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(3), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Mn(2), and one B(2) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one B(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.330
_cell_length_b   5.908
_cell_length_c   12.059
_cell_angle_alpha   83.258
_cell_angle_beta   80.146
_cell_angle_gamma   88.208
_symmetry_Int_Tables_number   1
_cell_volume   371.516
_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
  Li  Li0  1  0.704  0.072  0.767  1.0
  Li  Li1  1  0.296  0.928  0.233  1.0
  Mn  Mn2  1  0.292  0.901  0.647  1.0
  Mn  Mn3  1  0.624  0.256  0.995  1.0
  Mn  Mn4  1  0.932  0.588  0.331  1.0
  Mn  Mn5  1  0.376  0.744  0.005  1.0
  Mn  Mn6  1  0.708  0.099  0.353  1.0
  Mn  Mn7  1  0.068  0.412  0.669  1.0
  B  B8  1  0.523  0.520  0.779  1.0
  B  B9  1  0.153  0.126  0.880  1.0
  B  B10  1  0.477  0.480  0.221  1.0
  B  B11  1  0.847  0.874  0.120  1.0
  B  B12  1  0.184  0.179  0.443  1.0
  B  B13  1  0.816  0.821  0.557  1.0
  O  O14  1  0.299  0.615  0.746  1.0
  O  O15  1  0.685  0.396  0.711  1.0
  O  O16  1  0.096  0.101  0.773  1.0
  O  O17  1  0.558  0.538  0.890  1.0
  O  O18  1  0.993  0.234  0.957  1.0
  O  O19  1  0.398  0.047  0.903  1.0
  O  O20  1  0.701  0.385  0.254  1.0
  O  O21  1  0.442  0.462  0.110  1.0
  O  O22  1  0.315  0.604  0.289  1.0
  O  O23  1  0.007  0.766  0.043  1.0
  O  O24  1  0.904  0.899  0.227  1.0
  O  O25  1  0.602  0.953  0.097  1.0
  O  O26  1  0.950  0.270  0.422  1.0
  O  O27  1  0.342  0.080  0.360  1.0
  O  O28  1  0.757  0.813  0.450  1.0
  O  O29  1  0.243  0.187  0.550  1.0
  O  O30  1  0.658  0.920  0.640  1.0
  O  O31  1  0.050  0.730  0.578  1.0
[/CIF]
.