The crystal structure described by LiMnBO3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with three equivalent Mn(1)O6 pentagonal pyramids. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O6 pentagonal pyramids, and edges with three equivalent Li(1)O4 trigonal pyramids. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one B(1) atom. is represented by the CIF card [CIF]
data_LiMnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.732
_cell_length_b   7.684
_cell_length_c   6.578
_cell_angle_alpha   90.000
_cell_angle_beta   75.090
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.987
_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  0.094  0.282  0.759  1.0
  Li  Li1  1  0.406  0.782  0.741  1.0
  Li  Li2  1  0.594  0.218  0.259  1.0
  Li  Li3  1  0.906  0.718  0.241  1.0
  Mn  Mn4  1  0.276  0.518  0.401  1.0
  Mn  Mn5  1  0.776  0.982  0.901  1.0
  Mn  Mn6  1  0.224  0.018  0.099  1.0
  Mn  Mn7  1  0.724  0.482  0.599  1.0
  B  B8  1  0.065  0.330  0.176  1.0
  B  B9  1  0.435  0.830  0.324  1.0
  B  B10  1  0.565  0.170  0.676  1.0
  B  B11  1  0.935  0.670  0.824  1.0
  O  O12  1  0.957  0.207  0.074  1.0
  O  O13  1  0.543  0.707  0.426  1.0
  O  O14  1  0.457  0.293  0.574  1.0
  O  O15  1  0.043  0.793  0.926  1.0
  O  O16  1  0.060  0.530  0.715  1.0
  O  O17  1  0.560  0.970  0.215  1.0
  O  O18  1  0.440  0.030  0.785  1.0
  O  O19  1  0.940  0.470  0.285  1.0
  O  O20  1  0.304  0.307  0.180  1.0
  O  O21  1  0.196  0.807  0.320  1.0
  O  O22  1  0.804  0.193  0.680  1.0
  O  O23  1  0.696  0.693  0.820  1.0
[/CIF]
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The crystal structure described by LiMnBO3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with three equivalent Mn(1)O6 pentagonal pyramids. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O6 pentagonal pyramids, and edges with three equivalent Li(1)O4 trigonal pyramids. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one B(1) atom. is represented by the CIF card [CIF]
data_LiMnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.732
_cell_length_b   7.684
_cell_length_c   6.578
_cell_angle_alpha   90.000
_cell_angle_beta   75.090
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.987
_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  0.094  0.282  0.759  1.0
  Li  Li1  1  0.406  0.782  0.741  1.0
  Li  Li2  1  0.594  0.218  0.259  1.0
  Li  Li3  1  0.906  0.718  0.241  1.0
  Mn  Mn4  1  0.276  0.518  0.401  1.0
  Mn  Mn5  1  0.776  0.982  0.901  1.0
  Mn  Mn6  1  0.224  0.018  0.099  1.0
  Mn  Mn7  1  0.724  0.482  0.599  1.0
  B  B8  1  0.065  0.330  0.176  1.0
  B  B9  1  0.435  0.830  0.324  1.0
  B  B10  1  0.565  0.170  0.676  1.0
  B  B11  1  0.935  0.670  0.824  1.0
  O  O12  1  0.957  0.207  0.074  1.0
  O  O13  1  0.543  0.707  0.426  1.0
  O  O14  1  0.457  0.293  0.574  1.0
  O  O15  1  0.043  0.793  0.926  1.0
  O  O16  1  0.060  0.530  0.715  1.0
  O  O17  1  0.560  0.970  0.215  1.0
  O  O18  1  0.440  0.030  0.785  1.0
  O  O19  1  0.940  0.470  0.285  1.0
  O  O20  1  0.304  0.307  0.180  1.0
  O  O21  1  0.196  0.807  0.320  1.0
  O  O22  1  0.804  0.193  0.680  1.0
  O  O23  1  0.696  0.693  0.820  1.0
[/CIF]
.