The material structure described by Li3Mn4(BO3)4 crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(2), one O(5), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Mn(4)O5 trigonal bipyramids, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(12), one O(5), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Mn(4)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(11), one O(2), one O(4), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and edges with two equivalent Mn(3)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(11), one O(2), one O(3), one O(4), and one O(7) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(12), one O(5), one O(6), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(12), one O(8), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one B(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(2), one Mn(3), and one B(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one B(4) atom. In the fifth O site, O(5) is bonded to one Li(3), one Mn(1), one Mn(4), and one B(3) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Mn(4), and one B(4) atom to form OLi2MnB trigonal pyramids that share corners with two equivalent O(5)LiMn2B tetrahedra and  a cornercorner with one O(9)Li2MnB trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one B(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(4), and one B(2) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Mn(2), and one B(2) atom to form distorted OLi2MnB trigonal pyramids that share  a cornercorner with one O(5)LiMn2B tetrahedra and  a cornercorner with one O(6)Li2MnB trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one B(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Mn(3), and one B(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(4), and one B(2) atom. is represented by the CIF card [CIF]
data_Li3Mn4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.092
_cell_length_b   5.288
_cell_length_c   11.571
_cell_angle_alpha   63.645
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.566
_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  0.231  0.514  0.342  1.0
  Li  Li1  1  0.264  0.015  0.819  1.0
  Li  Li2  1  0.741  0.567  0.090  1.0
  Li  Li3  1  0.769  0.514  0.842  1.0
  Li  Li4  1  0.736  0.015  0.319  1.0
  Li  Li5  1  0.259  0.567  0.590  1.0
  Mn  Mn6  1  0.888  0.460  0.379  1.0
  Mn  Mn7  1  0.580  0.982  0.865  1.0
  Mn  Mn8  1  0.399  0.559  0.115  1.0
  Mn  Mn9  1  0.063  0.023  0.621  1.0
  Mn  Mn10  1  0.420  0.982  0.365  1.0
  Mn  Mn11  1  0.112  0.460  0.879  1.0
  Mn  Mn12  1  0.601  0.559  0.615  1.0
  Mn  Mn13  1  0.937  0.023  0.121  1.0
  B  B14  1  0.572  0.464  0.369  1.0
  B  B15  1  0.925  0.948  0.878  1.0
  B  B16  1  0.061  0.535  0.134  1.0
  B  B17  1  0.414  0.049  0.620  1.0
  B  B18  1  0.075  0.948  0.378  1.0
  B  B19  1  0.428  0.464  0.869  1.0
  B  B20  1  0.586  0.049  0.120  1.0
  B  B21  1  0.939  0.535  0.634  1.0
  O  O22  1  0.944  0.364  0.571  1.0
  O  O23  1  0.575  0.842  0.076  1.0
  O  O24  1  0.188  0.630  0.160  1.0
  O  O25  1  0.536  0.140  0.663  1.0
  O  O26  1  0.925  0.612  0.168  1.0
  O  O27  1  0.277  0.160  0.626  1.0
  O  O28  1  0.432  0.408  0.338  1.0
  O  O29  1  0.049  0.899  0.816  1.0
  O  O30  1  0.796  0.809  0.893  1.0
  O  O31  1  0.690  0.309  0.364  1.0
  O  O32  1  0.406  0.684  0.905  1.0
  O  O33  1  0.055  0.144  0.428  1.0
  O  O34  1  0.056  0.364  0.071  1.0
  O  O35  1  0.425  0.842  0.576  1.0
  O  O36  1  0.464  0.140  0.163  1.0
  O  O37  1  0.723  0.160  0.126  1.0
  O  O38  1  0.812  0.630  0.660  1.0
  O  O39  1  0.075  0.612  0.668  1.0
  O  O40  1  0.568  0.408  0.838  1.0
  O  O41  1  0.951  0.899  0.316  1.0
  O  O42  1  0.204  0.809  0.393  1.0
  O  O43  1  0.310  0.309  0.864  1.0
  O  O44  1  0.594  0.684  0.405  1.0
  O  O45  1  0.945  0.144  0.928  1.0
[/CIF]
.
The material structure described by Li3Mn4(BO3)4 crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(2), one O(5), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Mn(4)O5 trigonal bipyramids, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(12), one O(5), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Mn(4)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(11), one O(2), one O(4), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and edges with two equivalent Mn(3)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(11), one O(2), one O(3), one O(4), and one O(7) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(12), one O(5), one O(6), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(12), one O(8), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one B(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(2), one Mn(3), and one B(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one B(4) atom. In the fifth O site, O(5) is bonded to one Li(3), one Mn(1), one Mn(4), and one B(3) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Mn(4), and one B(4) atom to form OLi2MnB trigonal pyramids that share corners with two equivalent O(5)LiMn2B tetrahedra and  a cornercorner with one O(9)Li2MnB trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one B(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(4), and one B(2) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Mn(2), and one B(2) atom to form distorted OLi2MnB trigonal pyramids that share  a cornercorner with one O(5)LiMn2B tetrahedra and  a cornercorner with one O(6)Li2MnB trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one B(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Mn(3), and one B(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(4), and one B(2) atom. is represented by the CIF card [CIF]
data_Li3Mn4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.092
_cell_length_b   5.288
_cell_length_c   11.571
_cell_angle_alpha   63.645
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.566
_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  0.231  0.514  0.342  1.0
  Li  Li1  1  0.264  0.015  0.819  1.0
  Li  Li2  1  0.741  0.567  0.090  1.0
  Li  Li3  1  0.769  0.514  0.842  1.0
  Li  Li4  1  0.736  0.015  0.319  1.0
  Li  Li5  1  0.259  0.567  0.590  1.0
  Mn  Mn6  1  0.888  0.460  0.379  1.0
  Mn  Mn7  1  0.580  0.982  0.865  1.0
  Mn  Mn8  1  0.399  0.559  0.115  1.0
  Mn  Mn9  1  0.063  0.023  0.621  1.0
  Mn  Mn10  1  0.420  0.982  0.365  1.0
  Mn  Mn11  1  0.112  0.460  0.879  1.0
  Mn  Mn12  1  0.601  0.559  0.615  1.0
  Mn  Mn13  1  0.937  0.023  0.121  1.0
  B  B14  1  0.572  0.464  0.369  1.0
  B  B15  1  0.925  0.948  0.878  1.0
  B  B16  1  0.061  0.535  0.134  1.0
  B  B17  1  0.414  0.049  0.620  1.0
  B  B18  1  0.075  0.948  0.378  1.0
  B  B19  1  0.428  0.464  0.869  1.0
  B  B20  1  0.586  0.049  0.120  1.0
  B  B21  1  0.939  0.535  0.634  1.0
  O  O22  1  0.944  0.364  0.571  1.0
  O  O23  1  0.575  0.842  0.076  1.0
  O  O24  1  0.188  0.630  0.160  1.0
  O  O25  1  0.536  0.140  0.663  1.0
  O  O26  1  0.925  0.612  0.168  1.0
  O  O27  1  0.277  0.160  0.626  1.0
  O  O28  1  0.432  0.408  0.338  1.0
  O  O29  1  0.049  0.899  0.816  1.0
  O  O30  1  0.796  0.809  0.893  1.0
  O  O31  1  0.690  0.309  0.364  1.0
  O  O32  1  0.406  0.684  0.905  1.0
  O  O33  1  0.055  0.144  0.428  1.0
  O  O34  1  0.056  0.364  0.071  1.0
  O  O35  1  0.425  0.842  0.576  1.0
  O  O36  1  0.464  0.140  0.163  1.0
  O  O37  1  0.723  0.160  0.126  1.0
  O  O38  1  0.812  0.630  0.660  1.0
  O  O39  1  0.075  0.612  0.668  1.0
  O  O40  1  0.568  0.408  0.838  1.0
  O  O41  1  0.951  0.899  0.316  1.0
  O  O42  1  0.204  0.809  0.393  1.0
  O  O43  1  0.310  0.309  0.864  1.0
  O  O44  1  0.594  0.684  0.405  1.0
  O  O45  1  0.945  0.144  0.928  1.0
[/CIF]
.