The structure described by Li7(NiO2)11 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(4), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(2), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), one O(3), one O(4), one O(5), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Ni site, Ni(4) is bonded to one O(4), one O(7), two equivalent O(10), and two equivalent O(11) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the fifth Ni site, Ni(5) is bonded to two equivalent O(2), two equivalent O(8), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(2), one O(6), one O(9), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Ni(2), one Ni(3), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Ni(3), one Ni(5), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(4) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the fifth O site, O(5) is bonded to two equivalent Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Ni(2), one Ni(3), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Ni(1), one Ni(2), and one Ni(4) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Ni(5), and two equivalent Ni(6) atoms to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the ninth O site, O(9) is bonded to one Li(3), one Li(4), one Ni(3), one Ni(5), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the tenth O site, O(10) is bonded to one Li(3), one Li(4), one Ni(1), and two equivalent Ni(4) atoms to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the eleventh O site, O(11) is bonded to one Li(3), one Li(4), one Ni(1), and two equivalent Ni(4) atoms to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. is represented by the CIF card [CIF]
data_Li7(NiO2)11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.925
_cell_length_b   8.626
_cell_length_c   9.807
_cell_angle_alpha   114.625
_cell_angle_beta   94.494
_cell_angle_gamma   94.611
_symmetry_Int_Tables_number   1
_cell_volume   374.573
_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  0.765  0.585  0.042  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.235  0.415  0.958  1.0
  Li  Li3  1  0.407  0.137  0.316  1.0
  Li  Li4  1  0.873  0.954  0.224  1.0
  Li  Li5  1  0.127  0.046  0.776  1.0
  Li  Li6  1  0.593  0.863  0.684  1.0
  Ni  Ni7  1  0.681  0.728  0.364  1.0
  Ni  Ni8  1  0.863  0.453  0.723  1.0
  Ni  Ni9  1  0.415  0.635  0.822  1.0
  Ni  Ni10  1  0.585  0.365  0.178  1.0
  Ni  Ni11  1  0.137  0.547  0.277  1.0
  Ni  Ni12  1  0.319  0.272  0.636  1.0
  Ni  Ni13  1  0.773  0.093  0.546  1.0
  Ni  Ni14  1  0.500  0.000  0.000  1.0
  Ni  Ni15  1  0.038  0.186  0.090  1.0
  Ni  Ni16  1  0.227  0.907  0.454  1.0
  Ni  Ni17  1  0.962  0.814  0.910  1.0
  O  O18  1  0.713  0.643  0.716  1.0
  O  O19  1  0.651  0.785  0.002  1.0
  O  O20  1  0.790  0.519  0.361  1.0
  O  O21  1  0.377  0.716  0.464  1.0
  O  O22  1  0.544  0.446  0.834  1.0
  O  O23  1  0.456  0.554  0.166  1.0
  O  O24  1  0.900  0.384  0.086  1.0
  O  O25  1  0.999  0.743  0.272  1.0
  O  O26  1  0.623  0.284  0.536  1.0
  O  O27  1  0.209  0.481  0.639  1.0
  O  O28  1  0.100  0.616  0.914  1.0
  O  O29  1  0.819  0.001  0.893  1.0
  O  O30  1  0.710  0.159  0.180  1.0
  O  O31  1  0.287  0.357  0.284  1.0
  O  O32  1  0.438  0.065  0.637  1.0
  O  O33  1  0.001  0.257  0.728  1.0
  O  O34  1  0.912  0.907  0.564  1.0
  O  O35  1  0.349  0.215  0.998  1.0
  O  O36  1  0.088  0.093  0.436  1.0
  O  O37  1  0.562  0.935  0.363  1.0
  O  O38  1  0.290  0.841  0.820  1.0
  O  O39  1  0.181  0.999  0.107  1.0
[/CIF]
.
The structure described by Li7(NiO2)11 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(4), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(2), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), one O(3), one O(4), one O(5), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Ni site, Ni(4) is bonded to one O(4), one O(7), two equivalent O(10), and two equivalent O(11) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the fifth Ni site, Ni(5) is bonded to two equivalent O(2), two equivalent O(8), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(2), one O(6), one O(9), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Ni(2), one Ni(3), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Ni(3), one Ni(5), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(4) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the fifth O site, O(5) is bonded to two equivalent Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Ni(2), one Ni(3), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Ni(1), one Ni(2), and one Ni(4) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Ni(5), and two equivalent Ni(6) atoms to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the ninth O site, O(9) is bonded to one Li(3), one Li(4), one Ni(3), one Ni(5), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the tenth O site, O(10) is bonded to one Li(3), one Li(4), one Ni(1), and two equivalent Ni(4) atoms to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the eleventh O site, O(11) is bonded to one Li(3), one Li(4), one Ni(1), and two equivalent Ni(4) atoms to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. is represented by the CIF card [CIF]
data_Li7(NiO2)11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.925
_cell_length_b   8.626
_cell_length_c   9.807
_cell_angle_alpha   114.625
_cell_angle_beta   94.494
_cell_angle_gamma   94.611
_symmetry_Int_Tables_number   1
_cell_volume   374.573
_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  0.765  0.585  0.042  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.235  0.415  0.958  1.0
  Li  Li3  1  0.407  0.137  0.316  1.0
  Li  Li4  1  0.873  0.954  0.224  1.0
  Li  Li5  1  0.127  0.046  0.776  1.0
  Li  Li6  1  0.593  0.863  0.684  1.0
  Ni  Ni7  1  0.681  0.728  0.364  1.0
  Ni  Ni8  1  0.863  0.453  0.723  1.0
  Ni  Ni9  1  0.415  0.635  0.822  1.0
  Ni  Ni10  1  0.585  0.365  0.178  1.0
  Ni  Ni11  1  0.137  0.547  0.277  1.0
  Ni  Ni12  1  0.319  0.272  0.636  1.0
  Ni  Ni13  1  0.773  0.093  0.546  1.0
  Ni  Ni14  1  0.500  0.000  0.000  1.0
  Ni  Ni15  1  0.038  0.186  0.090  1.0
  Ni  Ni16  1  0.227  0.907  0.454  1.0
  Ni  Ni17  1  0.962  0.814  0.910  1.0
  O  O18  1  0.713  0.643  0.716  1.0
  O  O19  1  0.651  0.785  0.002  1.0
  O  O20  1  0.790  0.519  0.361  1.0
  O  O21  1  0.377  0.716  0.464  1.0
  O  O22  1  0.544  0.446  0.834  1.0
  O  O23  1  0.456  0.554  0.166  1.0
  O  O24  1  0.900  0.384  0.086  1.0
  O  O25  1  0.999  0.743  0.272  1.0
  O  O26  1  0.623  0.284  0.536  1.0
  O  O27  1  0.209  0.481  0.639  1.0
  O  O28  1  0.100  0.616  0.914  1.0
  O  O29  1  0.819  0.001  0.893  1.0
  O  O30  1  0.710  0.159  0.180  1.0
  O  O31  1  0.287  0.357  0.284  1.0
  O  O32  1  0.438  0.065  0.637  1.0
  O  O33  1  0.001  0.257  0.728  1.0
  O  O34  1  0.912  0.907  0.564  1.0
  O  O35  1  0.349  0.215  0.998  1.0
  O  O36  1  0.088  0.093  0.436  1.0
  O  O37  1  0.562  0.935  0.363  1.0
  O  O38  1  0.290  0.841  0.820  1.0
  O  O39  1  0.181  0.999  0.107  1.0
[/CIF]
.