The material described by Li4Mn3(BO3)4 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(3), one O(7), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  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,  an edgeedge with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(2), one O(6), and one O(8) atom to form LiO5 trigonal bipyramids that share corners with two equivalent Mn(2)O5 trigonal bipyramids,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Li(4)O5 trigonal bipyramid, and edges with two equivalent Mn(3)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(3), one O(4), and one O(7) atom to form LiO5 trigonal bipyramids that share corners with two equivalent Li(4)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O5 trigonal bipyramid, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(4), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(4)O5 trigonal bipyramid, and edges with two equivalent Li(3)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(10), one O(11), one O(2), one O(5), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and edges with two equivalent Li(2)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(12), one O(7), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one B(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Mn(3), and one B(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one Mn(2), and one B(3) atom. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Mn(1), and one B(4) atom to form distorted edge-sharing OLi2MnB trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one B(4) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Mn(3), and one B(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Mn(1), 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 Li(4), one Mn(2), and one B(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Mn(1), and one B(2) atom to form a mixture of distorted edge and corner-sharing OLi2MnB trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one B(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Mn(3), and one B(2) atom to form distorted corner-sharing OLi2MnB tetrahedra. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(2), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.147
_cell_length_b   5.340
_cell_length_c   10.900
_cell_angle_alpha   62.692
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   473.058
_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  0.236  0.504  0.342  1.0
  Li  Li1  1  0.908  0.453  0.367  1.0
  Li  Li2  1  0.429  0.542  0.127  1.0
  Li  Li3  1  0.740  0.067  0.619  1.0
  Li  Li4  1  0.764  0.504  0.842  1.0
  Li  Li5  1  0.092  0.453  0.867  1.0
  Li  Li6  1  0.260  0.067  0.119  1.0
  Li  Li7  1  0.571  0.542  0.627  1.0
  Mn  Mn8  1  0.573  0.986  0.875  1.0
  Mn  Mn9  1  0.246  0.949  0.882  1.0
  Mn  Mn10  1  0.064  0.015  0.622  1.0
  Mn  Mn11  1  0.427  0.986  0.375  1.0
  Mn  Mn12  1  0.754  0.949  0.382  1.0
  Mn  Mn13  1  0.936  0.015  0.122  1.0
  B  B14  1  0.571  0.449  0.384  1.0
  B  B15  1  0.907  0.964  0.867  1.0
  B  B16  1  0.075  0.550  0.117  1.0
  B  B17  1  0.414  0.028  0.635  1.0
  B  B18  1  0.093  0.964  0.367  1.0
  B  B19  1  0.429  0.449  0.884  1.0
  B  B20  1  0.586  0.028  0.135  1.0
  B  B21  1  0.925  0.550  0.617  1.0
  O  O22  1  0.564  0.864  0.069  1.0
  O  O23  1  0.921  0.320  0.589  1.0
  O  O24  1  0.203  0.700  0.107  1.0
  O  O25  1  0.541  0.118  0.678  1.0
  O  O26  1  0.278  0.093  0.664  1.0
  O  O27  1  0.944  0.625  0.155  1.0
  O  O28  1  0.438  0.384  0.342  1.0
  O  O29  1  0.698  0.300  0.402  1.0
  O  O30  1  0.778  0.863  0.848  1.0
  O  O31  1  0.037  0.877  0.826  1.0
  O  O32  1  0.081  0.161  0.420  1.0
  O  O33  1  0.428  0.677  0.913  1.0
  O  O34  1  0.079  0.320  0.089  1.0
  O  O35  1  0.436  0.864  0.569  1.0
  O  O36  1  0.797  0.700  0.607  1.0
  O  O37  1  0.459  0.118  0.178  1.0
  O  O38  1  0.722  0.093  0.164  1.0
  O  O39  1  0.056  0.625  0.655  1.0
  O  O40  1  0.562  0.384  0.842  1.0
  O  O41  1  0.222  0.863  0.348  1.0
  O  O42  1  0.963  0.877  0.326  1.0
  O  O43  1  0.302  0.300  0.902  1.0
  O  O44  1  0.572  0.677  0.413  1.0
  O  O45  1  0.919  0.161  0.920  1.0
[/CIF]
.
The material described by Li4Mn3(BO3)4 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(3), one O(7), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  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,  an edgeedge with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(2), one O(6), and one O(8) atom to form LiO5 trigonal bipyramids that share corners with two equivalent Mn(2)O5 trigonal bipyramids,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Li(4)O5 trigonal bipyramid, and edges with two equivalent Mn(3)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(3), one O(4), and one O(7) atom to form LiO5 trigonal bipyramids that share corners with two equivalent Li(4)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O5 trigonal bipyramid, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(4), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(4)O5 trigonal bipyramid, and edges with two equivalent Li(3)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(10), one O(11), one O(2), one O(5), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and edges with two equivalent Li(2)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(12), one O(7), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one B(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Mn(3), and one B(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one Mn(2), and one B(3) atom. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Mn(1), and one B(4) atom to form distorted edge-sharing OLi2MnB trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one B(4) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Mn(3), and one B(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Mn(1), 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 Li(4), one Mn(2), and one B(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Mn(1), and one B(2) atom to form a mixture of distorted edge and corner-sharing OLi2MnB trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one B(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Mn(3), and one B(2) atom to form distorted corner-sharing OLi2MnB tetrahedra. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(2), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.147
_cell_length_b   5.340
_cell_length_c   10.900
_cell_angle_alpha   62.692
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   473.058
_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  0.236  0.504  0.342  1.0
  Li  Li1  1  0.908  0.453  0.367  1.0
  Li  Li2  1  0.429  0.542  0.127  1.0
  Li  Li3  1  0.740  0.067  0.619  1.0
  Li  Li4  1  0.764  0.504  0.842  1.0
  Li  Li5  1  0.092  0.453  0.867  1.0
  Li  Li6  1  0.260  0.067  0.119  1.0
  Li  Li7  1  0.571  0.542  0.627  1.0
  Mn  Mn8  1  0.573  0.986  0.875  1.0
  Mn  Mn9  1  0.246  0.949  0.882  1.0
  Mn  Mn10  1  0.064  0.015  0.622  1.0
  Mn  Mn11  1  0.427  0.986  0.375  1.0
  Mn  Mn12  1  0.754  0.949  0.382  1.0
  Mn  Mn13  1  0.936  0.015  0.122  1.0
  B  B14  1  0.571  0.449  0.384  1.0
  B  B15  1  0.907  0.964  0.867  1.0
  B  B16  1  0.075  0.550  0.117  1.0
  B  B17  1  0.414  0.028  0.635  1.0
  B  B18  1  0.093  0.964  0.367  1.0
  B  B19  1  0.429  0.449  0.884  1.0
  B  B20  1  0.586  0.028  0.135  1.0
  B  B21  1  0.925  0.550  0.617  1.0
  O  O22  1  0.564  0.864  0.069  1.0
  O  O23  1  0.921  0.320  0.589  1.0
  O  O24  1  0.203  0.700  0.107  1.0
  O  O25  1  0.541  0.118  0.678  1.0
  O  O26  1  0.278  0.093  0.664  1.0
  O  O27  1  0.944  0.625  0.155  1.0
  O  O28  1  0.438  0.384  0.342  1.0
  O  O29  1  0.698  0.300  0.402  1.0
  O  O30  1  0.778  0.863  0.848  1.0
  O  O31  1  0.037  0.877  0.826  1.0
  O  O32  1  0.081  0.161  0.420  1.0
  O  O33  1  0.428  0.677  0.913  1.0
  O  O34  1  0.079  0.320  0.089  1.0
  O  O35  1  0.436  0.864  0.569  1.0
  O  O36  1  0.797  0.700  0.607  1.0
  O  O37  1  0.459  0.118  0.178  1.0
  O  O38  1  0.722  0.093  0.164  1.0
  O  O39  1  0.056  0.625  0.655  1.0
  O  O40  1  0.562  0.384  0.842  1.0
  O  O41  1  0.222  0.863  0.348  1.0
  O  O42  1  0.963  0.877  0.326  1.0
  O  O43  1  0.302  0.300  0.902  1.0
  O  O44  1  0.572  0.677  0.413  1.0
  O  O45  1  0.919  0.161  0.920  1.0
[/CIF]
.