The material described by LiMnBO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form MnO5 trigonal bipyramids that share corners with four equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. 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 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one B(1) atom. 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 edge-sharing OLiMn2B tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one 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   5.197
_cell_length_b   5.242
_cell_length_c   6.051
_cell_angle_alpha   90.673
_cell_angle_beta   113.165
_cell_angle_gamma   119.078
_symmetry_Int_Tables_number   1
_cell_volume   128.155
_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
  B  B0  1  0.808  0.073  0.737  1.0
  B  B1  1  0.192  0.927  0.263  1.0
  Li  Li2  1  0.437  0.369  0.672  1.0
  Li  Li3  1  0.563  0.631  0.328  1.0
  Mn  Mn4  1  0.161  0.748  0.765  1.0
  Mn  Mn5  1  0.839  0.252  0.235  1.0
  O  O6  1  0.034  0.302  0.676  1.0
  O  O7  1  0.966  0.698  0.324  1.0
  O  O8  1  0.625  0.132  0.826  1.0
  O  O9  1  0.375  0.868  0.174  1.0
  O  O10  1  0.753  0.787  0.702  1.0
  O  O11  1  0.247  0.213  0.298  1.0
[/CIF]
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The material described by LiMnBO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form MnO5 trigonal bipyramids that share corners with four equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. 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 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one B(1) atom. 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 edge-sharing OLiMn2B tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one 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   5.197
_cell_length_b   5.242
_cell_length_c   6.051
_cell_angle_alpha   90.673
_cell_angle_beta   113.165
_cell_angle_gamma   119.078
_symmetry_Int_Tables_number   1
_cell_volume   128.155
_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
  B  B0  1  0.808  0.073  0.737  1.0
  B  B1  1  0.192  0.927  0.263  1.0
  Li  Li2  1  0.437  0.369  0.672  1.0
  Li  Li3  1  0.563  0.631  0.328  1.0
  Mn  Mn4  1  0.161  0.748  0.765  1.0
  Mn  Mn5  1  0.839  0.252  0.235  1.0
  O  O6  1  0.034  0.302  0.676  1.0
  O  O7  1  0.966  0.698  0.324  1.0
  O  O8  1  0.625  0.132  0.826  1.0
  O  O9  1  0.375  0.868  0.174  1.0
  O  O10  1  0.753  0.787  0.702  1.0
  O  O11  1  0.247  0.213  0.298  1.0
[/CIF]
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