The structure described by Li3MnBSiO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(6) atom. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Si(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-50°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one B(1) atom to form OLi3B tetrahedra that share corners with three equivalent O(3)Li2MnB tetrahedra and corners with four equivalent O(6)Li2MnSi trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one B(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one Mn(1), and one B(1) atom to form distorted OLi2MnB tetrahedra that share corners with three equivalent O(1)Li3B tetrahedra and corners with four equivalent O(6)Li2MnSi trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Mn(1), and one Si(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), and one Si(1) atom to form distorted OLi2MnSi trigonal pyramids that share corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(1)Li3B tetrahedra,  a cornercorner with one O(6)Li2MnSi trigonal pyramid, and  an edgeedge with one O(6)Li2MnSi trigonal pyramid. is represented by the CIF card [CIF]
data_Li3MnSiBO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.079
_cell_length_b   6.279
_cell_length_c   8.339
_cell_angle_alpha   90.005
_cell_angle_beta   95.613
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   264.658
_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
  B  B0  1  0.711  0.750  0.960  1.0
  B  B1  1  0.289  0.250  0.040  1.0
  Li  Li2  1  0.758  0.250  0.896  1.0
  Li  Li3  1  0.242  0.750  0.104  1.0
  Li  Li4  1  0.251  1.000  0.752  1.0
  Li  Li5  1  0.251  0.500  0.752  1.0
  Li  Li6  1  0.749  0.500  0.248  1.0
  Li  Li7  1  0.749  0.000  0.248  1.0
  Mn  Mn8  1  0.796  0.750  0.681  1.0
  Mn  Mn9  1  0.204  0.250  0.319  1.0
  O  O10  1  0.358  0.250  0.888  1.0
  O  O11  1  0.642  0.750  0.112  1.0
  O  O12  1  0.967  0.750  0.910  1.0
  O  O13  1  0.033  0.250  0.090  1.0
  O  O14  1  0.522  0.750  0.825  1.0
  O  O15  1  0.478  0.250  0.175  1.0
  O  O16  1  0.403  0.250  0.526  1.0
  O  O17  1  0.597  0.750  0.474  1.0
  O  O18  1  0.134  0.750  0.596  1.0
  O  O19  1  0.866  0.250  0.404  1.0
  O  O20  1  0.819  0.054  0.696  1.0
  O  O21  1  0.820  0.446  0.696  1.0
  O  O22  1  0.180  0.554  0.304  1.0
  O  O23  1  0.181  0.946  0.304  1.0
  Si  Si24  1  0.727  0.250  0.572  1.0
  Si  Si25  1  0.273  0.750  0.428  1.0
[/CIF]
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The structure described by Li3MnBSiO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(6) atom. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Si(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-50°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one B(1) atom to form OLi3B tetrahedra that share corners with three equivalent O(3)Li2MnB tetrahedra and corners with four equivalent O(6)Li2MnSi trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one B(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one Mn(1), and one B(1) atom to form distorted OLi2MnB tetrahedra that share corners with three equivalent O(1)Li3B tetrahedra and corners with four equivalent O(6)Li2MnSi trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Mn(1), and one Si(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), and one Si(1) atom to form distorted OLi2MnSi trigonal pyramids that share corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(1)Li3B tetrahedra,  a cornercorner with one O(6)Li2MnSi trigonal pyramid, and  an edgeedge with one O(6)Li2MnSi trigonal pyramid. is represented by the CIF card [CIF]
data_Li3MnSiBO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.079
_cell_length_b   6.279
_cell_length_c   8.339
_cell_angle_alpha   90.005
_cell_angle_beta   95.613
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   264.658
_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
  B  B0  1  0.711  0.750  0.960  1.0
  B  B1  1  0.289  0.250  0.040  1.0
  Li  Li2  1  0.758  0.250  0.896  1.0
  Li  Li3  1  0.242  0.750  0.104  1.0
  Li  Li4  1  0.251  1.000  0.752  1.0
  Li  Li5  1  0.251  0.500  0.752  1.0
  Li  Li6  1  0.749  0.500  0.248  1.0
  Li  Li7  1  0.749  0.000  0.248  1.0
  Mn  Mn8  1  0.796  0.750  0.681  1.0
  Mn  Mn9  1  0.204  0.250  0.319  1.0
  O  O10  1  0.358  0.250  0.888  1.0
  O  O11  1  0.642  0.750  0.112  1.0
  O  O12  1  0.967  0.750  0.910  1.0
  O  O13  1  0.033  0.250  0.090  1.0
  O  O14  1  0.522  0.750  0.825  1.0
  O  O15  1  0.478  0.250  0.175  1.0
  O  O16  1  0.403  0.250  0.526  1.0
  O  O17  1  0.597  0.750  0.474  1.0
  O  O18  1  0.134  0.750  0.596  1.0
  O  O19  1  0.866  0.250  0.404  1.0
  O  O20  1  0.819  0.054  0.696  1.0
  O  O21  1  0.820  0.446  0.696  1.0
  O  O22  1  0.180  0.554  0.304  1.0
  O  O23  1  0.181  0.946  0.304  1.0
  Si  Si24  1  0.727  0.250  0.572  1.0
  Si  Si25  1  0.273  0.750  0.428  1.0
[/CIF]
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