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)O5 trigonal bipyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Mn(1)O5 trigonal bipyramids. Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O5 trigonal bipyramids, and edges with two 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 to two equivalent Li(1), one Mn(1), and one B(1) atom to form distorted OLi2MnB tetrahedra that share corners with two equivalent O(1)Li2MnB tetrahedra, corners with five equivalent O(3)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B trigonal pyramid, and edges with two equivalent O(2)LiMn2B trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form distorted OLiMn2B trigonal pyramids that share  a cornercorner with one O(1)Li2MnB tetrahedra, corners with two equivalent O(3)LiMn2B tetrahedra, corners with two equivalent O(2)LiMn2B trigonal pyramids, edges with two equivalent O(1)Li2MnB tetrahedra, and edges with two equivalent O(3)LiMn2B tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form distorted OLiMn2B tetrahedra that share corners with two equivalent O(3)LiMn2B tetrahedra, corners with five equivalent O(1)Li2MnB tetrahedra, corners with two equivalent O(2)LiMn2B trigonal pyramids, and edges with two equivalent O(2)LiMn2B trigonal pyramids. is represented by the CIF file [CIF]
data_LiMnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.235
_cell_length_b   9.033
_cell_length_c   9.801
_cell_angle_alpha   89.979
_cell_angle_beta   90.000
_cell_angle_gamma   90.209
_symmetry_Int_Tables_number   1
_cell_volume   286.421
_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  0.250  0.127  0.717  1.0
  Li  Li1  1  0.250  0.373  0.217  1.0
  Li  Li2  1  0.750  0.627  0.783  1.0
  Li  Li3  1  0.750  0.873  0.283  1.0
  Mn  Mn4  1  0.751  0.218  0.947  1.0
  Mn  Mn5  1  0.249  0.782  0.053  1.0
  Mn  Mn6  1  0.749  0.282  0.447  1.0
  Mn  Mn7  1  0.251  0.718  0.553  1.0
  B  B8  1  0.250  0.108  0.209  1.0
  B  B9  1  0.250  0.392  0.709  1.0
  B  B10  1  0.750  0.608  0.291  1.0
  B  B11  1  0.750  0.892  0.791  1.0
  O  O12  1  0.749  0.044  0.799  1.0
  O  O13  1  0.751  0.456  0.299  1.0
  O  O14  1  0.249  0.544  0.701  1.0
  O  O15  1  0.251  0.956  0.201  1.0
  O  O16  1  0.248  0.178  0.335  1.0
  O  O17  1  0.252  0.321  0.835  1.0
  O  O18  1  0.748  0.679  0.165  1.0
  O  O19  1  0.752  0.822  0.665  1.0
  O  O20  1  0.250  0.199  0.092  1.0
  O  O21  1  0.250  0.301  0.592  1.0
  O  O22  1  0.750  0.699  0.408  1.0
  O  O23  1  0.750  0.801  0.908  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)O5 trigonal bipyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Mn(1)O5 trigonal bipyramids. Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O5 trigonal bipyramids, and edges with two 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 to two equivalent Li(1), one Mn(1), and one B(1) atom to form distorted OLi2MnB tetrahedra that share corners with two equivalent O(1)Li2MnB tetrahedra, corners with five equivalent O(3)LiMn2B tetrahedra,  a cornercorner with one O(2)LiMn2B trigonal pyramid, and edges with two equivalent O(2)LiMn2B trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form distorted OLiMn2B trigonal pyramids that share  a cornercorner with one O(1)Li2MnB tetrahedra, corners with two equivalent O(3)LiMn2B tetrahedra, corners with two equivalent O(2)LiMn2B trigonal pyramids, edges with two equivalent O(1)Li2MnB tetrahedra, and edges with two equivalent O(3)LiMn2B tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form distorted OLiMn2B tetrahedra that share corners with two equivalent O(3)LiMn2B tetrahedra, corners with five equivalent O(1)Li2MnB tetrahedra, corners with two equivalent O(2)LiMn2B trigonal pyramids, and edges with two equivalent O(2)LiMn2B trigonal pyramids. is represented by the CIF file [CIF]
data_LiMnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.235
_cell_length_b   9.033
_cell_length_c   9.801
_cell_angle_alpha   89.979
_cell_angle_beta   90.000
_cell_angle_gamma   90.209
_symmetry_Int_Tables_number   1
_cell_volume   286.421
_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  0.250  0.127  0.717  1.0
  Li  Li1  1  0.250  0.373  0.217  1.0
  Li  Li2  1  0.750  0.627  0.783  1.0
  Li  Li3  1  0.750  0.873  0.283  1.0
  Mn  Mn4  1  0.751  0.218  0.947  1.0
  Mn  Mn5  1  0.249  0.782  0.053  1.0
  Mn  Mn6  1  0.749  0.282  0.447  1.0
  Mn  Mn7  1  0.251  0.718  0.553  1.0
  B  B8  1  0.250  0.108  0.209  1.0
  B  B9  1  0.250  0.392  0.709  1.0
  B  B10  1  0.750  0.608  0.291  1.0
  B  B11  1  0.750  0.892  0.791  1.0
  O  O12  1  0.749  0.044  0.799  1.0
  O  O13  1  0.751  0.456  0.299  1.0
  O  O14  1  0.249  0.544  0.701  1.0
  O  O15  1  0.251  0.956  0.201  1.0
  O  O16  1  0.248  0.178  0.335  1.0
  O  O17  1  0.252  0.321  0.835  1.0
  O  O18  1  0.748  0.679  0.165  1.0
  O  O19  1  0.752  0.822  0.665  1.0
  O  O20  1  0.250  0.199  0.092  1.0
  O  O21  1  0.250  0.301  0.592  1.0
  O  O22  1  0.750  0.699  0.408  1.0
  O  O23  1  0.750  0.801  0.908  1.0
[/CIF]
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