The compound described by Li17O6Cl5 crystallizes in the monoclinic Pm space group. There are seventeen inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted linear geometry to one O(1), one O(4), two equivalent Cl(1), and two equivalent Cl(4) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(5), and two equivalent Cl(2) atoms. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(3), one O(6), and two equivalent Cl(3) atoms. In the fourth Li site, Li(4) is bonded in a distorted linear geometry to one O(1), one O(5), two equivalent Cl(1), and two equivalent Cl(5) atoms. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(2), one O(6), and two equivalent Cl(2) atoms. In the sixth Li site, Li(6) is bonded in a distorted linear geometry to one O(3), one O(4), two equivalent Cl(3), and two equivalent Cl(4) atoms. In the seventh Li site, Li(7) is bonded in a 2-coordinate geometry to one O(1), one O(5), two equivalent Cl(1), and two equivalent Cl(5) atoms. In the eighth Li site, Li(8) is bonded in a 2-coordinate geometry to one O(3), one O(4), two equivalent Cl(3), and two equivalent Cl(4) atoms. In the ninth Li site, Li(9) is bonded in a distorted linear geometry to one O(1), one O(4), two equivalent Cl(1), and two equivalent Cl(4) atoms. In the tenth Li site, Li(10) is bonded in a distorted linear geometry to one O(2), one O(5), two equivalent Cl(2), and two equivalent Cl(5) atoms. In the eleventh Li site, Li(11) is bonded in a linear geometry to one O(3), one O(6), and two equivalent Cl(3) atoms. In the twelfth Li site, Li(12) is bonded in a distorted linear geometry to two equivalent O(1), one Cl(4), one Cl(5), and two equivalent Cl(1) atoms. In the thirteenth Li site, Li(13) is bonded in a 2-coordinate geometry to two equivalent O(2), one Cl(5), and two equivalent Cl(2) atoms. In the fourteenth Li site, Li(14) is bonded in a 2-coordinate geometry to two equivalent O(3), one Cl(4), and two equivalent Cl(3) atoms. In the fifteenth Li site, Li(15) is bonded in a distorted linear geometry to two equivalent O(4), one Cl(1), one Cl(3), and two equivalent Cl(4) atoms. In the sixteenth Li site, Li(16) is bonded in a linear geometry to two equivalent O(5), one Cl(1), one Cl(2), and two equivalent Cl(5) atoms. In the seventeenth Li site, Li(17) is bonded in a 3-coordinate geometry to two equivalent O(6) and one Cl(2) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Li(7), one Li(9), and two equivalent Li(12) atoms to form OLi6 octahedra that share corners with two equivalent O(1)Li6 octahedra, corners with two equivalent O(4)Li6 octahedra, corners with two equivalent O(5)Li6 octahedra, and faces with four equivalent Cl(1)Li12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(10), one Li(2), one Li(5), and two equivalent Li(13) atoms to form OLi5 square pyramids that share corners with two equivalent O(5)Li6 octahedra, corners with two equivalent O(2)Li5 square pyramids, and  a cornercorner with one O(6)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 11-25°. In the third O site, O(3) is bonded to one Li(11), one Li(3), one Li(6), one Li(8), and two equivalent Li(14) atoms to form OLi6 octahedra that share corners with two equivalent O(3)Li6 octahedra, corners with two equivalent O(4)Li6 octahedra, and corners with two equivalent O(6)Li5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the fourth O site, O(4) is bonded to one Li(1), one Li(6), one Li(8), one Li(9), and two equivalent Li(15) atoms to form OLi6 octahedra that share corners with two equivalent O(1)Li6 octahedra, corners with two equivalent O(3)Li6 octahedra, corners with two equivalent O(4)Li6 octahedra, and faces with two equivalent Cl(1)Li12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth O site, O(5) is bonded to one Li(10), one Li(2), one Li(4), one Li(7), and two equivalent Li(16) atoms to form OLi6 octahedra that share corners with two equivalent O(1)Li6 octahedra, corners with two equivalent O(5)Li6 octahedra, corners with two equivalent O(2)Li5 square pyramids, and faces with two equivalent Cl(1)Li12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the sixth O site, O(6) is bonded to one Li(11), one Li(3), one Li(5), and two equivalent Li(17) atoms to form OLi5 trigonal bipyramids that share corners with two equivalent O(3)Li6 octahedra,  a cornercorner with one O(2)Li5 square pyramid, and corners with two equivalent O(6)Li5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-13°. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Li(15), one Li(16), two equivalent Li(1), two equivalent Li(12), two equivalent Li(4), two equivalent Li(7), and two equivalent Li(9) atoms to form ClLi12 cuboctahedra that share corners with two equivalent Cl(1)Li12 cuboctahedra, faces with two equivalent Cl(1)Li12 cuboctahedra, faces with two equivalent O(4)Li6 octahedra, faces with two equivalent O(5)Li6 octahedra, and faces with four equivalent O(1)Li6 octahedra. In the second Cl site, Cl(2) is bonded in a 10-coordinate geometry to one Li(16), one Li(17), two equivalent Li(10), two equivalent Li(13), two equivalent Li(2), and two equivalent Li(5) atoms. In the third Cl site, Cl(3) is bonded in a 11-coordinate geometry to one Li(15), two equivalent Li(11), two equivalent Li(14), two equivalent Li(3), two equivalent Li(6), and two equivalent Li(8) atoms. In the fourth Cl site, Cl(4) is bonded in a 12-coordinate geometry to one Li(12), one Li(14), two equivalent Li(1), two equivalent Li(15), two equivalent Li(6), two equivalent Li(8), and two equivalent Li(9) atoms. In the fifth Cl site, Cl(5) is bonded in a 10-coordinate geometry to one Li(12), one Li(13), two equivalent Li(10), two equivalent Li(16), two equivalent Li(4), and two equivalent Li(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li17Cl5O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.836
_cell_length_b   5.579
_cell_length_c   16.743
_cell_angle_alpha   93.163
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.823
_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  0.500  0.267  0.910  1.0
  Li  Li1  1  0.500  0.241  0.567  1.0
  Li  Li2  1  0.500  0.333  0.241  1.0
  Li  Li3  1  0.500  0.717  0.753  1.0
  Li  Li4  1  0.500  0.679  0.435  1.0
  Li  Li5  1  0.500  0.771  0.083  1.0
  Li  Li6  1  0.500  0.207  0.742  1.0
  Li  Li7  1  0.500  0.273  0.078  1.0
  Li  Li8  1  0.500  0.757  0.916  1.0
  Li  Li9  1  0.500  0.730  0.594  1.0
  Li  Li10  1  0.500  0.801  0.249  1.0
  Li  Li11  1  0.000  0.991  0.829  1.0
  Li  Li12  1  0.000  0.974  0.504  1.0
  Li  Li13  1  0.000  0.042  0.159  1.0
  Li  Li14  1  0.000  0.515  0.997  1.0
  Li  Li15  1  0.000  0.460  0.664  1.0
  Li  Li16  1  0.000  0.526  0.343  1.0
  Cl  Cl17  1  0.000  0.492  0.836  1.0
  Cl  Cl18  1  0.000  0.441  0.493  1.0
  Cl  Cl19  1  0.000  0.538  0.161  1.0
  Cl  Cl20  1  0.000  0.014  0.009  1.0
  Cl  Cl21  1  0.000  0.960  0.678  1.0
  O  O22  1  0.500  0.991  0.836  1.0
  O  O23  1  0.500  0.937  0.510  1.0
  O  O24  1  0.500  0.044  0.174  1.0
  O  O25  1  0.500  0.515  0.998  1.0
  O  O26  1  0.500  0.463  0.666  1.0
  O  O27  1  0.500  0.571  0.325  1.0
[/CIF]
.
The compound described by Li17O6Cl5 crystallizes in the monoclinic Pm space group. There are seventeen inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted linear geometry to one O(1), one O(4), two equivalent Cl(1), and two equivalent Cl(4) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(5), and two equivalent Cl(2) atoms. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(3), one O(6), and two equivalent Cl(3) atoms. In the fourth Li site, Li(4) is bonded in a distorted linear geometry to one O(1), one O(5), two equivalent Cl(1), and two equivalent Cl(5) atoms. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(2), one O(6), and two equivalent Cl(2) atoms. In the sixth Li site, Li(6) is bonded in a distorted linear geometry to one O(3), one O(4), two equivalent Cl(3), and two equivalent Cl(4) atoms. In the seventh Li site, Li(7) is bonded in a 2-coordinate geometry to one O(1), one O(5), two equivalent Cl(1), and two equivalent Cl(5) atoms. In the eighth Li site, Li(8) is bonded in a 2-coordinate geometry to one O(3), one O(4), two equivalent Cl(3), and two equivalent Cl(4) atoms. In the ninth Li site, Li(9) is bonded in a distorted linear geometry to one O(1), one O(4), two equivalent Cl(1), and two equivalent Cl(4) atoms. In the tenth Li site, Li(10) is bonded in a distorted linear geometry to one O(2), one O(5), two equivalent Cl(2), and two equivalent Cl(5) atoms. In the eleventh Li site, Li(11) is bonded in a linear geometry to one O(3), one O(6), and two equivalent Cl(3) atoms. In the twelfth Li site, Li(12) is bonded in a distorted linear geometry to two equivalent O(1), one Cl(4), one Cl(5), and two equivalent Cl(1) atoms. In the thirteenth Li site, Li(13) is bonded in a 2-coordinate geometry to two equivalent O(2), one Cl(5), and two equivalent Cl(2) atoms. In the fourteenth Li site, Li(14) is bonded in a 2-coordinate geometry to two equivalent O(3), one Cl(4), and two equivalent Cl(3) atoms. In the fifteenth Li site, Li(15) is bonded in a distorted linear geometry to two equivalent O(4), one Cl(1), one Cl(3), and two equivalent Cl(4) atoms. In the sixteenth Li site, Li(16) is bonded in a linear geometry to two equivalent O(5), one Cl(1), one Cl(2), and two equivalent Cl(5) atoms. In the seventeenth Li site, Li(17) is bonded in a 3-coordinate geometry to two equivalent O(6) and one Cl(2) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Li(7), one Li(9), and two equivalent Li(12) atoms to form OLi6 octahedra that share corners with two equivalent O(1)Li6 octahedra, corners with two equivalent O(4)Li6 octahedra, corners with two equivalent O(5)Li6 octahedra, and faces with four equivalent Cl(1)Li12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(10), one Li(2), one Li(5), and two equivalent Li(13) atoms to form OLi5 square pyramids that share corners with two equivalent O(5)Li6 octahedra, corners with two equivalent O(2)Li5 square pyramids, and  a cornercorner with one O(6)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 11-25°. In the third O site, O(3) is bonded to one Li(11), one Li(3), one Li(6), one Li(8), and two equivalent Li(14) atoms to form OLi6 octahedra that share corners with two equivalent O(3)Li6 octahedra, corners with two equivalent O(4)Li6 octahedra, and corners with two equivalent O(6)Li5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the fourth O site, O(4) is bonded to one Li(1), one Li(6), one Li(8), one Li(9), and two equivalent Li(15) atoms to form OLi6 octahedra that share corners with two equivalent O(1)Li6 octahedra, corners with two equivalent O(3)Li6 octahedra, corners with two equivalent O(4)Li6 octahedra, and faces with two equivalent Cl(1)Li12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth O site, O(5) is bonded to one Li(10), one Li(2), one Li(4), one Li(7), and two equivalent Li(16) atoms to form OLi6 octahedra that share corners with two equivalent O(1)Li6 octahedra, corners with two equivalent O(5)Li6 octahedra, corners with two equivalent O(2)Li5 square pyramids, and faces with two equivalent Cl(1)Li12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the sixth O site, O(6) is bonded to one Li(11), one Li(3), one Li(5), and two equivalent Li(17) atoms to form OLi5 trigonal bipyramids that share corners with two equivalent O(3)Li6 octahedra,  a cornercorner with one O(2)Li5 square pyramid, and corners with two equivalent O(6)Li5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-13°. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Li(15), one Li(16), two equivalent Li(1), two equivalent Li(12), two equivalent Li(4), two equivalent Li(7), and two equivalent Li(9) atoms to form ClLi12 cuboctahedra that share corners with two equivalent Cl(1)Li12 cuboctahedra, faces with two equivalent Cl(1)Li12 cuboctahedra, faces with two equivalent O(4)Li6 octahedra, faces with two equivalent O(5)Li6 octahedra, and faces with four equivalent O(1)Li6 octahedra. In the second Cl site, Cl(2) is bonded in a 10-coordinate geometry to one Li(16), one Li(17), two equivalent Li(10), two equivalent Li(13), two equivalent Li(2), and two equivalent Li(5) atoms. In the third Cl site, Cl(3) is bonded in a 11-coordinate geometry to one Li(15), two equivalent Li(11), two equivalent Li(14), two equivalent Li(3), two equivalent Li(6), and two equivalent Li(8) atoms. In the fourth Cl site, Cl(4) is bonded in a 12-coordinate geometry to one Li(12), one Li(14), two equivalent Li(1), two equivalent Li(15), two equivalent Li(6), two equivalent Li(8), and two equivalent Li(9) atoms. In the fifth Cl site, Cl(5) is bonded in a 10-coordinate geometry to one Li(12), one Li(13), two equivalent Li(10), two equivalent Li(16), two equivalent Li(4), and two equivalent Li(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li17Cl5O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.836
_cell_length_b   5.579
_cell_length_c   16.743
_cell_angle_alpha   93.163
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.823
_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  0.500  0.267  0.910  1.0
  Li  Li1  1  0.500  0.241  0.567  1.0
  Li  Li2  1  0.500  0.333  0.241  1.0
  Li  Li3  1  0.500  0.717  0.753  1.0
  Li  Li4  1  0.500  0.679  0.435  1.0
  Li  Li5  1  0.500  0.771  0.083  1.0
  Li  Li6  1  0.500  0.207  0.742  1.0
  Li  Li7  1  0.500  0.273  0.078  1.0
  Li  Li8  1  0.500  0.757  0.916  1.0
  Li  Li9  1  0.500  0.730  0.594  1.0
  Li  Li10  1  0.500  0.801  0.249  1.0
  Li  Li11  1  0.000  0.991  0.829  1.0
  Li  Li12  1  0.000  0.974  0.504  1.0
  Li  Li13  1  0.000  0.042  0.159  1.0
  Li  Li14  1  0.000  0.515  0.997  1.0
  Li  Li15  1  0.000  0.460  0.664  1.0
  Li  Li16  1  0.000  0.526  0.343  1.0
  Cl  Cl17  1  0.000  0.492  0.836  1.0
  Cl  Cl18  1  0.000  0.441  0.493  1.0
  Cl  Cl19  1  0.000  0.538  0.161  1.0
  Cl  Cl20  1  0.000  0.014  0.009  1.0
  Cl  Cl21  1  0.000  0.960  0.678  1.0
  O  O22  1  0.500  0.991  0.836  1.0
  O  O23  1  0.500  0.937  0.510  1.0
  O  O24  1  0.500  0.044  0.174  1.0
  O  O25  1  0.500  0.515  0.998  1.0
  O  O26  1  0.500  0.463  0.666  1.0
  O  O27  1  0.500  0.571  0.325  1.0
[/CIF]
.