The structure described by LiMn2(BO3)2 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 trigonal pyramid, edges with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 trigonal pyramid, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one B(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), 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. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.236
_cell_length_b   5.236
_cell_length_c   10.592
_cell_angle_alpha   90.537
_cell_angle_beta   89.469
_cell_angle_gamma   61.615
_symmetry_Int_Tables_number   1
_cell_volume   255.443
_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
  Li  Li0  1  0.525  0.538  0.246  1.0
  Li  Li1  1  0.462  0.475  0.746  1.0
  Mn  Mn2  1  0.933  0.704  0.630  1.0
  Mn  Mn3  1  0.006  0.303  0.392  1.0
  Mn  Mn4  1  0.296  0.067  0.130  1.0
  Mn  Mn5  1  0.697  0.994  0.892  1.0
  B  B6  1  0.011  0.366  0.876  1.0
  B  B7  1  0.635  0.989  0.376  1.0
  B  B8  1  0.321  0.033  0.637  1.0
  B  B9  1  0.967  0.679  0.137  1.0
  O  O10  1  0.124  0.289  0.579  1.0
  O  O11  1  0.711  0.876  0.079  1.0
  O  O12  1  0.243  0.190  0.953  1.0
  O  O13  1  0.810  0.757  0.453  1.0
  O  O14  1  0.044  0.585  0.810  1.0
  O  O15  1  0.415  0.956  0.310  1.0
  O  O16  1  0.565  0.037  0.693  1.0
  O  O17  1  0.963  0.435  0.193  1.0
  O  O18  1  0.205  0.716  0.137  1.0
  O  O19  1  0.284  0.795  0.637  1.0
  O  O20  1  0.661  0.230  0.362  1.0
  O  O21  1  0.770  0.340  0.862  1.0
[/CIF]
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The structure described by LiMn2(BO3)2 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 trigonal pyramid, edges with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 trigonal pyramid, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one B(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), 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. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.236
_cell_length_b   5.236
_cell_length_c   10.592
_cell_angle_alpha   90.537
_cell_angle_beta   89.469
_cell_angle_gamma   61.615
_symmetry_Int_Tables_number   1
_cell_volume   255.443
_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
  Li  Li0  1  0.525  0.538  0.246  1.0
  Li  Li1  1  0.462  0.475  0.746  1.0
  Mn  Mn2  1  0.933  0.704  0.630  1.0
  Mn  Mn3  1  0.006  0.303  0.392  1.0
  Mn  Mn4  1  0.296  0.067  0.130  1.0
  Mn  Mn5  1  0.697  0.994  0.892  1.0
  B  B6  1  0.011  0.366  0.876  1.0
  B  B7  1  0.635  0.989  0.376  1.0
  B  B8  1  0.321  0.033  0.637  1.0
  B  B9  1  0.967  0.679  0.137  1.0
  O  O10  1  0.124  0.289  0.579  1.0
  O  O11  1  0.711  0.876  0.079  1.0
  O  O12  1  0.243  0.190  0.953  1.0
  O  O13  1  0.810  0.757  0.453  1.0
  O  O14  1  0.044  0.585  0.810  1.0
  O  O15  1  0.415  0.956  0.310  1.0
  O  O16  1  0.565  0.037  0.693  1.0
  O  O17  1  0.963  0.435  0.193  1.0
  O  O18  1  0.205  0.716  0.137  1.0
  O  O19  1  0.284  0.795  0.637  1.0
  O  O20  1  0.661  0.230  0.362  1.0
  O  O21  1  0.770  0.340  0.862  1.0
[/CIF]
.