The structure described by Li7B18O crystallizes in the monoclinic Pm space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to two equivalent B(4), two equivalent B(6), two equivalent B(9), and one O(1) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent B(5), two equivalent B(6), two equivalent B(7), two equivalent B(8), and two equivalent B(9) atoms. In the third Li site, Li(3) is bonded in a linear geometry to two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded in a single-bond geometry to two equivalent B(11), two equivalent B(3), two equivalent B(5), and one O(1) atom. In the fifth Li site, Li(5) is bonded in a 18-coordinate geometry to two equivalent B(1), two equivalent B(10), two equivalent B(11), two equivalent B(12), two equivalent B(13), two equivalent B(14), two equivalent B(15), two equivalent B(5), and two equivalent B(9) atoms. In the sixth Li site, Li(6) is bonded in a single-bond geometry to two equivalent B(12), two equivalent B(13), two equivalent B(9), and one O(1) atom. In the seventh Li site, Li(7) is bonded in a single-bond geometry to two equivalent B(14), two equivalent B(15), two equivalent B(5), two equivalent B(7), and one O(1) atom. There are fifteen inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Li(2), one Li(5), one B(1), one B(13), one B(15), one B(2), and one B(4) atom. In the second B site, B(2) is bonded in a 7-coordinate geometry to two equivalent Li(2), one B(13), one B(3), one B(4), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Li(2), two equivalent Li(4), one B(11), one B(2), one B(7), and two equivalent B(5) atoms. In the fourth B site, B(4) is bonded in a 7-coordinate geometry to two equivalent Li(1), one B(15), one B(2), one B(6), and two equivalent B(1) atoms. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to one Li(2), one Li(4), one Li(5), one Li(7), one B(11), one B(14), one B(3), one B(5), and one B(7) atom. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Li(2), one B(10), one B(4), one B(8), and two equivalent B(9) atoms. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to two equivalent Li(2), two equivalent Li(7), one B(14), one B(3), one B(8), and two equivalent B(5) atoms. In the eighth B site, B(8) is bonded in a 7-coordinate geometry to two equivalent Li(2), one B(12), one B(6), one B(7), and two equivalent B(9) atoms. In the ninth B site, B(9) is bonded in a 9-coordinate geometry to one Li(1), one Li(2), one Li(5), one Li(6), one B(10), one B(12), one B(6), one B(8), and one B(9) atom. In the tenth B site, B(10) is bonded in a 7-coordinate geometry to two equivalent Li(5), one B(11), one B(12), one B(6), and two equivalent B(9) atoms. In the eleventh B site, B(11) is bonded in a 9-coordinate geometry to two equivalent Li(4), two equivalent Li(5), one B(10), one B(14), one B(3), and two equivalent B(5) atoms. In the twelfth B site, B(12) is bonded in a 9-coordinate geometry to two equivalent Li(5), two equivalent Li(6), one B(10), one B(13), one B(8), and two equivalent B(9) atoms. In the thirteenth B site, B(13) is bonded in a 9-coordinate geometry to two equivalent Li(5), two equivalent Li(6), one B(12), one B(15), one B(2), and two equivalent B(1) atoms. In the fourteenth B site, B(14) is bonded in a 9-coordinate geometry to two equivalent Li(5), two equivalent Li(7), one B(11), one B(15), one B(7), and two equivalent B(5) atoms. In the fifteenth B site, B(15) is bonded in a 9-coordinate geometry to two equivalent Li(5), two equivalent Li(7), one B(13), one B(14), one B(4), and two equivalent B(1) atoms. O(1) is bonded to one Li(1), one Li(4), one Li(6), one Li(7), and two equivalent Li(3) atoms to form corner-sharing OLi6 octahedra. The corner-sharing octahedral tilt angles are 2°. is represented by the CIF file [CIF]
data_Li7B18O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.123
_cell_length_b   8.171
_cell_length_c   8.176
_cell_angle_alpha   60.095
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.799
_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
  Li  Li0  1  0.000  0.287  0.893  1.0
  Li  Li1  1  0.000  0.682  0.664  1.0
  Li  Li2  1  0.500  0.014  0.990  1.0
  Li  Li3  1  0.000  0.993  0.236  1.0
  Li  Li4  1  0.000  0.330  0.323  1.0
  Li  Li5  1  0.000  0.739  0.110  1.0
  Li  Li6  1  0.000  0.074  0.736  1.0
  B  B7  1  0.801  0.499  0.500  1.0
  B  B8  1  0.500  0.673  0.449  1.0
  B  B9  1  0.500  0.878  0.450  1.0
  B  B10  1  0.500  0.450  0.672  1.0
  B  B11  1  0.797  0.001  0.500  1.0
  B  B12  1  0.500  0.453  0.877  1.0
  B  B13  1  0.500  0.879  0.673  1.0
  B  B14  1  0.500  0.676  0.878  1.0
  B  B15  1  0.202  0.503  0.999  1.0
  B  B16  1  0.798  0.503  0.999  1.0
  B  B17  1  0.500  0.328  0.120  1.0
  B  B18  1  0.500  0.123  0.326  1.0
  B  B19  1  0.500  0.551  0.122  1.0
  B  B20  1  0.203  0.001  0.500  1.0
  B  B21  1  0.500  0.550  0.328  1.0
  B  B22  1  0.500  0.124  0.548  1.0
  B  B23  1  0.500  0.327  0.551  1.0
  B  B24  1  0.199  0.499  0.500  1.0
  O  O25  1  0.000  0.015  0.995  1.0
[/CIF]
.
The structure described by Li7B18O crystallizes in the monoclinic Pm space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to two equivalent B(4), two equivalent B(6), two equivalent B(9), and one O(1) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent B(5), two equivalent B(6), two equivalent B(7), two equivalent B(8), and two equivalent B(9) atoms. In the third Li site, Li(3) is bonded in a linear geometry to two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded in a single-bond geometry to two equivalent B(11), two equivalent B(3), two equivalent B(5), and one O(1) atom. In the fifth Li site, Li(5) is bonded in a 18-coordinate geometry to two equivalent B(1), two equivalent B(10), two equivalent B(11), two equivalent B(12), two equivalent B(13), two equivalent B(14), two equivalent B(15), two equivalent B(5), and two equivalent B(9) atoms. In the sixth Li site, Li(6) is bonded in a single-bond geometry to two equivalent B(12), two equivalent B(13), two equivalent B(9), and one O(1) atom. In the seventh Li site, Li(7) is bonded in a single-bond geometry to two equivalent B(14), two equivalent B(15), two equivalent B(5), two equivalent B(7), and one O(1) atom. There are fifteen inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Li(2), one Li(5), one B(1), one B(13), one B(15), one B(2), and one B(4) atom. In the second B site, B(2) is bonded in a 7-coordinate geometry to two equivalent Li(2), one B(13), one B(3), one B(4), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Li(2), two equivalent Li(4), one B(11), one B(2), one B(7), and two equivalent B(5) atoms. In the fourth B site, B(4) is bonded in a 7-coordinate geometry to two equivalent Li(1), one B(15), one B(2), one B(6), and two equivalent B(1) atoms. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to one Li(2), one Li(4), one Li(5), one Li(7), one B(11), one B(14), one B(3), one B(5), and one B(7) atom. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Li(2), one B(10), one B(4), one B(8), and two equivalent B(9) atoms. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to two equivalent Li(2), two equivalent Li(7), one B(14), one B(3), one B(8), and two equivalent B(5) atoms. In the eighth B site, B(8) is bonded in a 7-coordinate geometry to two equivalent Li(2), one B(12), one B(6), one B(7), and two equivalent B(9) atoms. In the ninth B site, B(9) is bonded in a 9-coordinate geometry to one Li(1), one Li(2), one Li(5), one Li(6), one B(10), one B(12), one B(6), one B(8), and one B(9) atom. In the tenth B site, B(10) is bonded in a 7-coordinate geometry to two equivalent Li(5), one B(11), one B(12), one B(6), and two equivalent B(9) atoms. In the eleventh B site, B(11) is bonded in a 9-coordinate geometry to two equivalent Li(4), two equivalent Li(5), one B(10), one B(14), one B(3), and two equivalent B(5) atoms. In the twelfth B site, B(12) is bonded in a 9-coordinate geometry to two equivalent Li(5), two equivalent Li(6), one B(10), one B(13), one B(8), and two equivalent B(9) atoms. In the thirteenth B site, B(13) is bonded in a 9-coordinate geometry to two equivalent Li(5), two equivalent Li(6), one B(12), one B(15), one B(2), and two equivalent B(1) atoms. In the fourteenth B site, B(14) is bonded in a 9-coordinate geometry to two equivalent Li(5), two equivalent Li(7), one B(11), one B(15), one B(7), and two equivalent B(5) atoms. In the fifteenth B site, B(15) is bonded in a 9-coordinate geometry to two equivalent Li(5), two equivalent Li(7), one B(13), one B(14), one B(4), and two equivalent B(1) atoms. O(1) is bonded to one Li(1), one Li(4), one Li(6), one Li(7), and two equivalent Li(3) atoms to form corner-sharing OLi6 octahedra. The corner-sharing octahedral tilt angles are 2°. is represented by the CIF file [CIF]
data_Li7B18O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.123
_cell_length_b   8.171
_cell_length_c   8.176
_cell_angle_alpha   60.095
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.799
_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
  Li  Li0  1  0.000  0.287  0.893  1.0
  Li  Li1  1  0.000  0.682  0.664  1.0
  Li  Li2  1  0.500  0.014  0.990  1.0
  Li  Li3  1  0.000  0.993  0.236  1.0
  Li  Li4  1  0.000  0.330  0.323  1.0
  Li  Li5  1  0.000  0.739  0.110  1.0
  Li  Li6  1  0.000  0.074  0.736  1.0
  B  B7  1  0.801  0.499  0.500  1.0
  B  B8  1  0.500  0.673  0.449  1.0
  B  B9  1  0.500  0.878  0.450  1.0
  B  B10  1  0.500  0.450  0.672  1.0
  B  B11  1  0.797  0.001  0.500  1.0
  B  B12  1  0.500  0.453  0.877  1.0
  B  B13  1  0.500  0.879  0.673  1.0
  B  B14  1  0.500  0.676  0.878  1.0
  B  B15  1  0.202  0.503  0.999  1.0
  B  B16  1  0.798  0.503  0.999  1.0
  B  B17  1  0.500  0.328  0.120  1.0
  B  B18  1  0.500  0.123  0.326  1.0
  B  B19  1  0.500  0.551  0.122  1.0
  B  B20  1  0.203  0.001  0.500  1.0
  B  B21  1  0.500  0.550  0.328  1.0
  B  B22  1  0.500  0.124  0.548  1.0
  B  B23  1  0.500  0.327  0.551  1.0
  B  B24  1  0.199  0.499  0.500  1.0
  O  O25  1  0.000  0.015  0.995  1.0
[/CIF]
.