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 square pyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Mn(1)O5 square pyramids. Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O5 square pyramids, 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 in a distorted see-saw-like geometry to two equivalent Li(1), one 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 a mixture of distorted corner and edge-sharing OLiMn2B trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2B tetrahedra. is represented by the CIF card [CIF]
data_LiMnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.734
_cell_length_b   3.258
_cell_length_c   9.316
_cell_angle_alpha   70.573
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   278.619
_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  0.759  0.109  0.636  1.0
  Li  Li1  1  0.259  0.891  0.864  1.0
  Li  Li2  1  0.741  0.109  0.136  1.0
  Li  Li3  1  0.241  0.891  0.364  1.0
  Mn  Mn4  1  0.041  0.492  0.758  1.0
  Mn  Mn5  1  0.541  0.508  0.742  1.0
  Mn  Mn6  1  0.459  0.492  0.258  1.0
  Mn  Mn7  1  0.959  0.508  0.242  1.0
  B  B8  1  0.294  0.154  0.598  1.0
  B  B9  1  0.794  0.846  0.902  1.0
  B  B10  1  0.206  0.154  0.098  1.0
  B  B11  1  0.706  0.846  0.402  1.0
  O  O12  1  0.683  0.684  0.556  1.0
  O  O13  1  0.159  0.091  0.654  1.0
  O  O14  1  0.400  0.044  0.706  1.0
  O  O15  1  0.900  0.956  0.794  1.0
  O  O16  1  0.183  0.316  0.944  1.0
  O  O17  1  0.659  0.909  0.846  1.0
  O  O18  1  0.341  0.091  0.154  1.0
  O  O19  1  0.817  0.684  0.056  1.0
  O  O20  1  0.100  0.044  0.206  1.0
  O  O21  1  0.600  0.956  0.294  1.0
  O  O22  1  0.841  0.909  0.346  1.0
  O  O23  1  0.317  0.316  0.444  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 square pyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Mn(1)O5 square pyramids. Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O5 square pyramids, 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 in a distorted see-saw-like geometry to two equivalent Li(1), one 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 a mixture of distorted corner and edge-sharing OLiMn2B trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2B tetrahedra. is represented by the CIF card [CIF]
data_LiMnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.734
_cell_length_b   3.258
_cell_length_c   9.316
_cell_angle_alpha   70.573
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   278.619
_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  0.759  0.109  0.636  1.0
  Li  Li1  1  0.259  0.891  0.864  1.0
  Li  Li2  1  0.741  0.109  0.136  1.0
  Li  Li3  1  0.241  0.891  0.364  1.0
  Mn  Mn4  1  0.041  0.492  0.758  1.0
  Mn  Mn5  1  0.541  0.508  0.742  1.0
  Mn  Mn6  1  0.459  0.492  0.258  1.0
  Mn  Mn7  1  0.959  0.508  0.242  1.0
  B  B8  1  0.294  0.154  0.598  1.0
  B  B9  1  0.794  0.846  0.902  1.0
  B  B10  1  0.206  0.154  0.098  1.0
  B  B11  1  0.706  0.846  0.402  1.0
  O  O12  1  0.683  0.684  0.556  1.0
  O  O13  1  0.159  0.091  0.654  1.0
  O  O14  1  0.400  0.044  0.706  1.0
  O  O15  1  0.900  0.956  0.794  1.0
  O  O16  1  0.183  0.316  0.944  1.0
  O  O17  1  0.659  0.909  0.846  1.0
  O  O18  1  0.341  0.091  0.154  1.0
  O  O19  1  0.817  0.684  0.056  1.0
  O  O20  1  0.100  0.044  0.206  1.0
  O  O21  1  0.600  0.956  0.294  1.0
  O  O22  1  0.841  0.909  0.346  1.0
  O  O23  1  0.317  0.316  0.444  1.0
[/CIF]
.