The compound described by LiMn2(BO3)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with three equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)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(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form MnO5 trigonal bipyramids that share corners with three equivalent Li(1)O4 tetrahedra and edges with two equivalent Mn(1)O5 trigonal bipyramids. 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(4), one O(5), and one O(6) 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(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(1), one Mn(1), one Mn(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one B(2) atom. is represented by the CIF file [CIF]
data_LiMn2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.275
_cell_length_c   5.824
_cell_angle_alpha   66.542
_cell_angle_beta   68.422
_cell_angle_gamma   60.607
_symmetry_Int_Tables_number   1
_cell_volume   124.462
_cell_formula_units_Z   1
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  0.725  0.093  0.259  1.0
  B  B1  1  0.271  0.910  0.746  1.0
  Li  Li2  1  0.952  0.603  0.657  1.0
  Mn  Mn3  1  0.396  0.778  0.244  1.0
  Mn  Mn4  1  0.617  0.229  0.745  1.0
  O  O5  1  0.646  0.312  0.379  1.0
  O  O6  1  0.523  0.157  0.114  1.0
  O  O7  1  0.962  0.824  0.297  1.0
  O  O8  1  0.028  0.185  0.726  1.0
  O  O9  1  0.521  0.866  0.823  1.0
  O  O10  1  0.291  0.676  0.678  1.0
[/CIF]
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The compound described by LiMn2(BO3)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with three equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)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(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form MnO5 trigonal bipyramids that share corners with three equivalent Li(1)O4 tetrahedra and edges with two equivalent Mn(1)O5 trigonal bipyramids. 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(4), one O(5), and one O(6) 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(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(1), one Mn(1), one Mn(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one B(2) atom. is represented by the CIF file [CIF]
data_LiMn2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.275
_cell_length_c   5.824
_cell_angle_alpha   66.542
_cell_angle_beta   68.422
_cell_angle_gamma   60.607
_symmetry_Int_Tables_number   1
_cell_volume   124.462
_cell_formula_units_Z   1
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  0.725  0.093  0.259  1.0
  B  B1  1  0.271  0.910  0.746  1.0
  Li  Li2  1  0.952  0.603  0.657  1.0
  Mn  Mn3  1  0.396  0.778  0.244  1.0
  Mn  Mn4  1  0.617  0.229  0.745  1.0
  O  O5  1  0.646  0.312  0.379  1.0
  O  O6  1  0.523  0.157  0.114  1.0
  O  O7  1  0.962  0.824  0.297  1.0
  O  O8  1  0.028  0.185  0.726  1.0
  O  O9  1  0.521  0.866  0.823  1.0
  O  O10  1  0.291  0.676  0.678  1.0
[/CIF]
.