The crystal structure described by LiMnB2O5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(5) atom. Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(2) atoms. There are two 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(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one 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 bent 120 degrees geometry to one B(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.475
_cell_length_b   6.493
_cell_length_c   6.741
_cell_angle_alpha   73.757
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.163
_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  0.812  0.800  0.755  1.0
  Li  Li1  1  0.688  0.300  0.755  1.0
  Li  Li2  1  0.312  0.700  0.245  1.0
  Li  Li3  1  0.188  0.200  0.245  1.0
  Mn  Mn4  1  0.439  0.682  0.819  1.0
  Mn  Mn5  1  0.061  0.182  0.819  1.0
  Mn  Mn6  1  0.939  0.818  0.181  1.0
  Mn  Mn7  1  0.561  0.318  0.181  1.0
  B  B8  1  0.131  0.706  0.859  1.0
  B  B9  1  0.369  0.206  0.859  1.0
  B  B10  1  0.048  0.723  0.506  1.0
  B  B11  1  0.548  0.777  0.494  1.0
  B  B12  1  0.452  0.223  0.506  1.0
  B  B13  1  0.952  0.277  0.494  1.0
  B  B14  1  0.631  0.794  0.141  1.0
  B  B15  1  0.869  0.294  0.141  1.0
  O  O16  1  0.757  0.824  0.042  1.0
  O  O17  1  0.018  0.819  0.909  1.0
  O  O18  1  0.743  0.324  0.042  1.0
  O  O19  1  0.482  0.319  0.909  1.0
  O  O20  1  0.113  0.621  0.691  1.0
  O  O21  1  0.619  0.744  0.679  1.0
  O  O22  1  0.387  0.121  0.691  1.0
  O  O23  1  0.908  0.783  0.480  1.0
  O  O24  1  0.881  0.244  0.679  1.0
  O  O25  1  0.408  0.717  0.520  1.0
  O  O26  1  0.592  0.283  0.480  1.0
  O  O27  1  0.119  0.756  0.321  1.0
  O  O28  1  0.092  0.217  0.520  1.0
  O  O29  1  0.613  0.879  0.309  1.0
  O  O30  1  0.381  0.256  0.321  1.0
  O  O31  1  0.887  0.379  0.309  1.0
  O  O32  1  0.518  0.681  0.091  1.0
  O  O33  1  0.257  0.676  0.958  1.0
  O  O34  1  0.982  0.181  0.091  1.0
  O  O35  1  0.243  0.176  0.958  1.0
[/CIF]
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The crystal structure described by LiMnB2O5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(5) atom. Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(2) atoms. There are two 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(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one 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 bent 120 degrees geometry to one B(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.475
_cell_length_b   6.493
_cell_length_c   6.741
_cell_angle_alpha   73.757
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.163
_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  0.812  0.800  0.755  1.0
  Li  Li1  1  0.688  0.300  0.755  1.0
  Li  Li2  1  0.312  0.700  0.245  1.0
  Li  Li3  1  0.188  0.200  0.245  1.0
  Mn  Mn4  1  0.439  0.682  0.819  1.0
  Mn  Mn5  1  0.061  0.182  0.819  1.0
  Mn  Mn6  1  0.939  0.818  0.181  1.0
  Mn  Mn7  1  0.561  0.318  0.181  1.0
  B  B8  1  0.131  0.706  0.859  1.0
  B  B9  1  0.369  0.206  0.859  1.0
  B  B10  1  0.048  0.723  0.506  1.0
  B  B11  1  0.548  0.777  0.494  1.0
  B  B12  1  0.452  0.223  0.506  1.0
  B  B13  1  0.952  0.277  0.494  1.0
  B  B14  1  0.631  0.794  0.141  1.0
  B  B15  1  0.869  0.294  0.141  1.0
  O  O16  1  0.757  0.824  0.042  1.0
  O  O17  1  0.018  0.819  0.909  1.0
  O  O18  1  0.743  0.324  0.042  1.0
  O  O19  1  0.482  0.319  0.909  1.0
  O  O20  1  0.113  0.621  0.691  1.0
  O  O21  1  0.619  0.744  0.679  1.0
  O  O22  1  0.387  0.121  0.691  1.0
  O  O23  1  0.908  0.783  0.480  1.0
  O  O24  1  0.881  0.244  0.679  1.0
  O  O25  1  0.408  0.717  0.520  1.0
  O  O26  1  0.592  0.283  0.480  1.0
  O  O27  1  0.119  0.756  0.321  1.0
  O  O28  1  0.092  0.217  0.520  1.0
  O  O29  1  0.613  0.879  0.309  1.0
  O  O30  1  0.381  0.256  0.321  1.0
  O  O31  1  0.887  0.379  0.309  1.0
  O  O32  1  0.518  0.681  0.091  1.0
  O  O33  1  0.257  0.676  0.958  1.0
  O  O34  1  0.982  0.181  0.091  1.0
  O  O35  1  0.243  0.176  0.958  1.0
[/CIF]
.