The structure described by Li8(CoO2)5 crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(7), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(4), one O(8), and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(7), and two equivalent O(5) atoms. In the fourth Li site, Li(4) is bonded to one O(2), one O(8), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(8), one O(9), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(7), and two equivalent O(3) atoms. In the seventh Li site, Li(7) is bonded to one O(6), one O(8), and two equivalent O(9) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the eighth Li site, Li(8) is bonded to one O(5), one O(7), and two equivalent O(10) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one O(10), one O(5), one O(6), and one O(9) atom. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(8) atom. In the third Co site, Co(3) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(7) atom. In the fourth Co site, Co(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(6), and one O(8) atom. In the fifth Co site, Co(5) is bonded in a square co-planar geometry to one O(2), one O(5), one O(7), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(1), one Co(2), and one Co(4) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(7)Li4Co2 octahedra,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(3)Li3Co2 trigonal bipyramid,  a cornercorner with one O(4)Li3Co2 trigonal bipyramid,  a cornercorner with one O(6)Li3Co2 trigonal bipyramid, corners with two equivalent O(5)Li3Co2 trigonal bipyramids,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(3)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 49°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(2), one Co(3), and one Co(5) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(8)Li4Co2 octahedra,  a cornercorner with one O(3)Li3Co2 trigonal bipyramid,  a cornercorner with one O(4)Li3Co2 trigonal bipyramid,  a cornercorner with one O(5)Li3Co2 trigonal bipyramid,  a cornercorner with one O(9)Li3Co2 trigonal bipyramid, corners with two equivalent O(6)Li3Co2 trigonal bipyramids,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(4)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(6), one Co(2), and one Co(3) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(8)Li4Co2 octahedra,  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  a cornercorner with one O(2)Li3Co2 trigonal bipyramid, corners with two equivalent O(10)Li3Co2 trigonal bipyramids, edges with two equivalent O(7)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co2 trigonal bipyramid,  an edgeedge with one O(3)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(4)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 10°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(5), one Co(2), and one Co(3) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(7)Li4Co2 octahedra,  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  a cornercorner with one O(2)Li3Co2 trigonal bipyramid, corners with two equivalent O(9)Li3Co2 trigonal bipyramids, edges with two equivalent O(8)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Co2 trigonal bipyramid,  an edgeedge with one O(3)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(4)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 9°. In the fifth O site, O(5) is bonded to one Li(8), two equivalent Li(3), one Co(1), and one Co(5) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(2)Li3Co2 trigonal bipyramid,  a cornercorner with one O(6)Li3Co2 trigonal bipyramid, corners with two equivalent O(1)Li3Co2 trigonal bipyramids, edges with two equivalent O(7)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Co2 trigonal bipyramid,  an edgeedge with one O(5)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(9)Li3Co2 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(7), two equivalent Li(4), one Co(1), and one Co(4) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  a cornercorner with one O(5)Li3Co2 trigonal bipyramid,  a cornercorner with one O(9)Li3Co2 trigonal bipyramid, corners with two equivalent O(2)Li3Co2 trigonal bipyramids, edges with two equivalent O(8)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Co2 trigonal bipyramid,  an edgeedge with one O(6)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(9)Li3Co2 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(6), one Li(8), one Co(3), and one Co(5) atom to form a mixture of distorted edge and corner-sharing OLi4Co2 octahedra. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(5), one Li(7), one Co(2), and one Co(4) atom to form a mixture of distorted edge and corner-sharing OLi4Co2 octahedra. In the ninth O site, O(9) is bonded to one Li(5), two equivalent Li(7), one Co(1), and one Co(5) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(7)Li4Co2 octahedra,  a cornercorner with one O(8)Li4Co2 octahedra,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(2)Li3Co2 trigonal bipyramid,  a cornercorner with one O(6)Li3Co2 trigonal bipyramid, corners with two equivalent O(4)Li3Co2 trigonal bipyramids,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(5)Li3Co2 trigonal bipyramid,  an edgeedge with one O(6)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(9)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-47°. In the tenth O site, O(10) is bonded to one Li(6), two equivalent Li(8), one Co(1), and one Co(4) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(7)Li4Co2 octahedra,  a cornercorner with one O(8)Li4Co2 octahedra,  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  a cornercorner with one O(5)Li3Co2 trigonal bipyramid,  a cornercorner with one O(9)Li3Co2 trigonal bipyramid, corners with two equivalent O(3)Li3Co2 trigonal bipyramids,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Co2 trigonal bipyramid,  an edgeedge with one O(5)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(6)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-50°. is represented by the CIF card [CIF]
data_Li8(CoO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   10.103
_cell_length_c   8.062
_cell_angle_alpha   83.146
_cell_angle_beta   100.125
_cell_angle_gamma   76.755
_symmetry_Int_Tables_number   1
_cell_volume   511.136
_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  0.623  0.723  0.068  1.0
  Li  Li1  1  0.121  0.218  0.062  1.0
  Li  Li2  1  0.277  0.777  0.132  1.0
  Li  Li3  1  0.779  0.281  0.138  1.0
  Li  Li4  1  0.438  0.726  0.441  1.0
  Li  Li5  1  0.934  0.226  0.442  1.0
  Li  Li6  1  0.462  0.774  0.759  1.0
  Li  Li7  1  0.966  0.274  0.758  1.0
  Li  Li8  1  0.486  0.225  0.269  1.0
  Li  Li9  1  0.982  0.721  0.268  1.0
  Li  Li10  1  0.413  0.275  0.931  1.0
  Li  Li11  1  0.917  0.779  0.932  1.0
  Li  Li12  1  0.599  0.280  0.550  1.0
  Li  Li13  1  0.097  0.780  0.551  1.0
  Li  Li14  1  0.301  0.220  0.650  1.0
  Li  Li15  1  0.803  0.720  0.648  1.0
  Co  Co16  1  0.202  0.500  0.600  1.0
  Co  Co17  1  0.400  0.499  0.197  1.0
  Co  Co18  1  0.001  0.500  0.003  1.0
  Co  Co19  1  0.791  0.505  0.406  1.0
  Co  Co20  1  0.606  0.495  0.793  1.0
  Co  Co21  1  0.698  0.000  0.600  1.0
  Co  Co22  1  0.898  1.000  0.197  1.0
  Co  Co23  1  0.499  0.001  0.002  1.0
  Co  Co24  1  0.294  0.004  0.407  1.0
  Co  Co25  1  0.109  0.994  0.794  1.0
  O  O26  1  0.543  0.641  0.264  1.0
  O  O27  1  0.036  0.133  0.260  1.0
  O  O28  1  0.357  0.859  0.936  1.0
  O  O29  1  0.864  0.367  0.940  1.0
  O  O30  1  0.781  0.871  0.101  1.0
  O  O31  1  0.257  0.369  0.091  1.0
  O  O32  1  0.642  0.131  0.109  1.0
  O  O33  1  0.119  0.630  0.099  1.0
  O  O34  1  0.543  0.869  0.561  1.0
  O  O35  1  0.046  0.371  0.559  1.0
  O  O36  1  0.855  0.129  0.641  1.0
  O  O37  1  0.357  0.631  0.640  1.0
  O  O38  1  0.143  0.864  0.321  1.0
  O  O39  1  0.659  0.357  0.329  1.0
  O  O40  1  0.241  0.143  0.871  1.0
  O  O41  1  0.756  0.636  0.879  1.0
  O  O42  1  0.456  0.135  0.488  1.0
  O  O43  1  0.960  0.634  0.490  1.0
  O  O44  1  0.445  0.365  0.712  1.0
  O  O45  1  0.940  0.866  0.709  1.0
[/CIF]
.
The structure described by Li8(CoO2)5 crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(7), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(4), one O(8), and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(7), and two equivalent O(5) atoms. In the fourth Li site, Li(4) is bonded to one O(2), one O(8), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(8), one O(9), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(7), and two equivalent O(3) atoms. In the seventh Li site, Li(7) is bonded to one O(6), one O(8), and two equivalent O(9) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the eighth Li site, Li(8) is bonded to one O(5), one O(7), and two equivalent O(10) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one O(10), one O(5), one O(6), and one O(9) atom. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(8) atom. In the third Co site, Co(3) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(7) atom. In the fourth Co site, Co(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(6), and one O(8) atom. In the fifth Co site, Co(5) is bonded in a square co-planar geometry to one O(2), one O(5), one O(7), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(1), one Co(2), and one Co(4) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(7)Li4Co2 octahedra,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(3)Li3Co2 trigonal bipyramid,  a cornercorner with one O(4)Li3Co2 trigonal bipyramid,  a cornercorner with one O(6)Li3Co2 trigonal bipyramid, corners with two equivalent O(5)Li3Co2 trigonal bipyramids,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(3)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 49°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(2), one Co(3), and one Co(5) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(8)Li4Co2 octahedra,  a cornercorner with one O(3)Li3Co2 trigonal bipyramid,  a cornercorner with one O(4)Li3Co2 trigonal bipyramid,  a cornercorner with one O(5)Li3Co2 trigonal bipyramid,  a cornercorner with one O(9)Li3Co2 trigonal bipyramid, corners with two equivalent O(6)Li3Co2 trigonal bipyramids,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(4)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(6), one Co(2), and one Co(3) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(8)Li4Co2 octahedra,  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  a cornercorner with one O(2)Li3Co2 trigonal bipyramid, corners with two equivalent O(10)Li3Co2 trigonal bipyramids, edges with two equivalent O(7)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co2 trigonal bipyramid,  an edgeedge with one O(3)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(4)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 10°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(5), one Co(2), and one Co(3) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(7)Li4Co2 octahedra,  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  a cornercorner with one O(2)Li3Co2 trigonal bipyramid, corners with two equivalent O(9)Li3Co2 trigonal bipyramids, edges with two equivalent O(8)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Co2 trigonal bipyramid,  an edgeedge with one O(3)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(4)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 9°. In the fifth O site, O(5) is bonded to one Li(8), two equivalent Li(3), one Co(1), and one Co(5) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(2)Li3Co2 trigonal bipyramid,  a cornercorner with one O(6)Li3Co2 trigonal bipyramid, corners with two equivalent O(1)Li3Co2 trigonal bipyramids, edges with two equivalent O(7)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Co2 trigonal bipyramid,  an edgeedge with one O(5)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(9)Li3Co2 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(7), two equivalent Li(4), one Co(1), and one Co(4) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  a cornercorner with one O(5)Li3Co2 trigonal bipyramid,  a cornercorner with one O(9)Li3Co2 trigonal bipyramid, corners with two equivalent O(2)Li3Co2 trigonal bipyramids, edges with two equivalent O(8)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Co2 trigonal bipyramid,  an edgeedge with one O(6)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(9)Li3Co2 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(6), one Li(8), one Co(3), and one Co(5) atom to form a mixture of distorted edge and corner-sharing OLi4Co2 octahedra. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(5), one Li(7), one Co(2), and one Co(4) atom to form a mixture of distorted edge and corner-sharing OLi4Co2 octahedra. In the ninth O site, O(9) is bonded to one Li(5), two equivalent Li(7), one Co(1), and one Co(5) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(7)Li4Co2 octahedra,  a cornercorner with one O(8)Li4Co2 octahedra,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(2)Li3Co2 trigonal bipyramid,  a cornercorner with one O(6)Li3Co2 trigonal bipyramid, corners with two equivalent O(4)Li3Co2 trigonal bipyramids,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(5)Li3Co2 trigonal bipyramid,  an edgeedge with one O(6)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(9)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-47°. In the tenth O site, O(10) is bonded to one Li(6), two equivalent Li(8), one Co(1), and one Co(4) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(7)Li4Co2 octahedra,  a cornercorner with one O(8)Li4Co2 octahedra,  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  a cornercorner with one O(5)Li3Co2 trigonal bipyramid,  a cornercorner with one O(9)Li3Co2 trigonal bipyramid, corners with two equivalent O(3)Li3Co2 trigonal bipyramids,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Co2 trigonal bipyramid,  an edgeedge with one O(5)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(6)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-50°. is represented by the CIF card [CIF]
data_Li8(CoO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   10.103
_cell_length_c   8.062
_cell_angle_alpha   83.146
_cell_angle_beta   100.125
_cell_angle_gamma   76.755
_symmetry_Int_Tables_number   1
_cell_volume   511.136
_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  0.623  0.723  0.068  1.0
  Li  Li1  1  0.121  0.218  0.062  1.0
  Li  Li2  1  0.277  0.777  0.132  1.0
  Li  Li3  1  0.779  0.281  0.138  1.0
  Li  Li4  1  0.438  0.726  0.441  1.0
  Li  Li5  1  0.934  0.226  0.442  1.0
  Li  Li6  1  0.462  0.774  0.759  1.0
  Li  Li7  1  0.966  0.274  0.758  1.0
  Li  Li8  1  0.486  0.225  0.269  1.0
  Li  Li9  1  0.982  0.721  0.268  1.0
  Li  Li10  1  0.413  0.275  0.931  1.0
  Li  Li11  1  0.917  0.779  0.932  1.0
  Li  Li12  1  0.599  0.280  0.550  1.0
  Li  Li13  1  0.097  0.780  0.551  1.0
  Li  Li14  1  0.301  0.220  0.650  1.0
  Li  Li15  1  0.803  0.720  0.648  1.0
  Co  Co16  1  0.202  0.500  0.600  1.0
  Co  Co17  1  0.400  0.499  0.197  1.0
  Co  Co18  1  0.001  0.500  0.003  1.0
  Co  Co19  1  0.791  0.505  0.406  1.0
  Co  Co20  1  0.606  0.495  0.793  1.0
  Co  Co21  1  0.698  0.000  0.600  1.0
  Co  Co22  1  0.898  1.000  0.197  1.0
  Co  Co23  1  0.499  0.001  0.002  1.0
  Co  Co24  1  0.294  0.004  0.407  1.0
  Co  Co25  1  0.109  0.994  0.794  1.0
  O  O26  1  0.543  0.641  0.264  1.0
  O  O27  1  0.036  0.133  0.260  1.0
  O  O28  1  0.357  0.859  0.936  1.0
  O  O29  1  0.864  0.367  0.940  1.0
  O  O30  1  0.781  0.871  0.101  1.0
  O  O31  1  0.257  0.369  0.091  1.0
  O  O32  1  0.642  0.131  0.109  1.0
  O  O33  1  0.119  0.630  0.099  1.0
  O  O34  1  0.543  0.869  0.561  1.0
  O  O35  1  0.046  0.371  0.559  1.0
  O  O36  1  0.855  0.129  0.641  1.0
  O  O37  1  0.357  0.631  0.640  1.0
  O  O38  1  0.143  0.864  0.321  1.0
  O  O39  1  0.659  0.357  0.329  1.0
  O  O40  1  0.241  0.143  0.871  1.0
  O  O41  1  0.756  0.636  0.879  1.0
  O  O42  1  0.456  0.135  0.488  1.0
  O  O43  1  0.960  0.634  0.490  1.0
  O  O44  1  0.445  0.365  0.712  1.0
  O  O45  1  0.940  0.866  0.709  1.0
[/CIF]
.