The material structure described by Na5(NiO2)8 crystallizes in the triclinic P-1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form distorted NaO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-18°. In the fourth Na site, Na(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form distorted NaO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(7), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Na(4)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. In the second Ni site, Ni(2) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Na(3)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Ni site, Ni(3) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Na(4)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), one Na(4), one Ni(1), one Ni(3), and one Ni(4) atom to form ONa3Ni3 octahedra that share corners with two equivalent O(1)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(8)Na2Ni3 square pyramid, corners with two equivalent O(3)Na2Ni3 square pyramids,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(3)Na2Ni3 square pyramid, edges with two equivalent O(6)Na2Ni3 square pyramids, edges with two equivalent O(8)Na2Ni3 square pyramids, edges with three equivalent O(4)Na2Ni3 square pyramids, and edges with two equivalent O(7)NaNi3 trigonal pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Ni(1), one Ni(2), and one Ni(4) atom to form distorted ONa2Ni3 square pyramids that share  a cornercorner with one O(1)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(3)Na2Ni3 square pyramid, corners with two equivalent O(8)Na2Ni3 square pyramids, corners with two equivalent O(7)NaNi3 trigonal pyramids,  an edgeedge with one O(1)Na3Ni3 octahedra,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(8)Na2Ni3 square pyramid, edges with two equivalent O(3)Na2Ni3 square pyramids, and edges with two equivalent O(6)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 14°. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Ni(3), and two equivalent Ni(1) atoms to form ONa2Ni3 square pyramids that share corners with two equivalent O(1)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(4)Na2Ni3 square pyramid,  a cornercorner with one O(6)Na2Ni3 square pyramid,  a cornercorner with one O(8)Na2Ni3 square pyramid,  a cornercorner with one O(7)NaNi3 trigonal pyramid,  an edgeedge with one O(1)Na3Ni3 octahedra,  an edgeedge with one O(3)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid, edges with two equivalent O(2)Na2Ni3 square pyramids, and edges with two equivalent O(7)NaNi3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 1-2°. In the fourth O site, O(4) is bonded to one Na(3), one Na(4), one Ni(1), one Ni(2), and one Ni(3) atom to form ONa2Ni3 square pyramids that share  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(8)Na2Ni3 square pyramid, corners with two equivalent O(4)Na2Ni3 square pyramids, corners with two equivalent O(6)Na2Ni3 square pyramids, corners with three equivalent O(7)NaNi3 trigonal pyramids, edges with three equivalent O(1)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(3)Na2Ni3 square pyramid,  an edgeedge with one O(6)Na2Ni3 square pyramid, and  an edgeedge with one O(8)Na2Ni3 square pyramid. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Na(2), one Ni(2), one Ni(3), and one Ni(4) atom. In the sixth O site, O(6) is bonded to one Na(1), one Na(3), one Ni(4), and two equivalent Ni(2) atoms to form distorted ONa2Ni3 square pyramids that share  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(6)Na2Ni3 square pyramid,  a cornercorner with one O(8)Na2Ni3 square pyramid, corners with two equivalent O(4)Na2Ni3 square pyramids,  a cornercorner with one O(7)NaNi3 trigonal pyramid, edges with two equivalent O(1)Na3Ni3 octahedra,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(6)Na2Ni3 square pyramid, edges with two equivalent O(2)Na2Ni3 square pyramids, and edges with two equivalent O(8)Na2Ni3 square pyramids. In the seventh O site, O(7) is bonded to one Na(1), one Ni(1), and two equivalent Ni(3) atoms to form ONaNi3 trigonal pyramids that share  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(6)Na2Ni3 square pyramid,  a cornercorner with one O(8)Na2Ni3 square pyramid, corners with two equivalent O(2)Na2Ni3 square pyramids, corners with three equivalent O(4)Na2Ni3 square pyramids, edges with two equivalent O(1)Na3Ni3 octahedra, edges with two equivalent O(3)Na2Ni3 square pyramids, and  an edgeedge with one O(7)NaNi3 trigonal pyramid. In the eighth O site, O(8) is bonded to one Na(1), one Na(4), one Ni(2), and two equivalent Ni(4) atoms to form ONa2Ni3 square pyramids that share  a cornercorner with one O(1)Na3Ni3 octahedra,  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(4)Na2Ni3 square pyramid,  a cornercorner with one O(6)Na2Ni3 square pyramid,  a cornercorner with one O(8)Na2Ni3 square pyramid, corners with two equivalent O(2)Na2Ni3 square pyramids,  a cornercorner with one O(7)NaNi3 trigonal pyramid, edges with two equivalent O(1)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(8)Na2Ni3 square pyramid, and edges with two equivalent O(6)Na2Ni3 square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Na5(NiO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.784
_cell_length_b   6.797
_cell_length_c   8.110
_cell_angle_alpha   81.396
_cell_angle_beta   78.009
_cell_angle_gamma   78.901
_symmetry_Int_Tables_number   1
_cell_volume   304.033
_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
  Na  Na0  1  0.786  0.275  0.729  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Na  Na2  1  0.214  0.725  0.271  1.0
  Na  Na3  1  0.500  0.000  0.000  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.623  0.879  0.625  1.0
  Ni  Ni6  1  0.372  0.627  0.874  1.0
  Ni  Ni7  1  0.122  0.880  0.628  1.0
  Ni  Ni8  1  0.628  0.373  0.126  1.0
  Ni  Ni9  1  0.377  0.121  0.375  1.0
  Ni  Ni10  1  0.872  0.629  0.877  1.0
  Ni  Ni11  1  0.128  0.371  0.123  1.0
  Ni  Ni12  1  0.878  0.120  0.372  1.0
  O  O13  1  0.839  0.907  0.794  1.0
  O  O14  1  0.649  0.610  0.710  1.0
  O  O15  1  0.601  0.149  0.537  1.0
  O  O16  1  0.320  0.909  0.780  1.0
  O  O17  1  0.830  0.392  0.279  1.0
  O  O18  1  0.399  0.851  0.463  1.0
  O  O19  1  0.680  0.091  0.220  1.0
  O  O20  1  0.170  0.608  0.721  1.0
  O  O21  1  0.570  0.653  0.029  1.0
  O  O22  1  0.075  0.149  0.523  1.0
  O  O23  1  0.351  0.390  0.290  1.0
  O  O24  1  0.161  0.093  0.206  1.0
  O  O25  1  0.430  0.347  0.971  1.0
  O  O26  1  0.925  0.851  0.477  1.0
  O  O27  1  0.096  0.646  0.041  1.0
  O  O28  1  0.904  0.354  0.959  1.0
[/CIF]
.
The material structure described by Na5(NiO2)8 crystallizes in the triclinic P-1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form distorted NaO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-18°. In the fourth Na site, Na(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form distorted NaO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(7), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Na(4)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. In the second Ni site, Ni(2) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Na(3)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Ni site, Ni(3) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Na(4)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), one Na(4), one Ni(1), one Ni(3), and one Ni(4) atom to form ONa3Ni3 octahedra that share corners with two equivalent O(1)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(8)Na2Ni3 square pyramid, corners with two equivalent O(3)Na2Ni3 square pyramids,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(3)Na2Ni3 square pyramid, edges with two equivalent O(6)Na2Ni3 square pyramids, edges with two equivalent O(8)Na2Ni3 square pyramids, edges with three equivalent O(4)Na2Ni3 square pyramids, and edges with two equivalent O(7)NaNi3 trigonal pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Ni(1), one Ni(2), and one Ni(4) atom to form distorted ONa2Ni3 square pyramids that share  a cornercorner with one O(1)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(3)Na2Ni3 square pyramid, corners with two equivalent O(8)Na2Ni3 square pyramids, corners with two equivalent O(7)NaNi3 trigonal pyramids,  an edgeedge with one O(1)Na3Ni3 octahedra,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(8)Na2Ni3 square pyramid, edges with two equivalent O(3)Na2Ni3 square pyramids, and edges with two equivalent O(6)Na2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 14°. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Ni(3), and two equivalent Ni(1) atoms to form ONa2Ni3 square pyramids that share corners with two equivalent O(1)Na3Ni3 octahedra,  a cornercorner with one O(2)Na2Ni3 square pyramid,  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(4)Na2Ni3 square pyramid,  a cornercorner with one O(6)Na2Ni3 square pyramid,  a cornercorner with one O(8)Na2Ni3 square pyramid,  a cornercorner with one O(7)NaNi3 trigonal pyramid,  an edgeedge with one O(1)Na3Ni3 octahedra,  an edgeedge with one O(3)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid, edges with two equivalent O(2)Na2Ni3 square pyramids, and edges with two equivalent O(7)NaNi3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 1-2°. In the fourth O site, O(4) is bonded to one Na(3), one Na(4), one Ni(1), one Ni(2), and one Ni(3) atom to form ONa2Ni3 square pyramids that share  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(8)Na2Ni3 square pyramid, corners with two equivalent O(4)Na2Ni3 square pyramids, corners with two equivalent O(6)Na2Ni3 square pyramids, corners with three equivalent O(7)NaNi3 trigonal pyramids, edges with three equivalent O(1)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(3)Na2Ni3 square pyramid,  an edgeedge with one O(6)Na2Ni3 square pyramid, and  an edgeedge with one O(8)Na2Ni3 square pyramid. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Na(2), one Ni(2), one Ni(3), and one Ni(4) atom. In the sixth O site, O(6) is bonded to one Na(1), one Na(3), one Ni(4), and two equivalent Ni(2) atoms to form distorted ONa2Ni3 square pyramids that share  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(6)Na2Ni3 square pyramid,  a cornercorner with one O(8)Na2Ni3 square pyramid, corners with two equivalent O(4)Na2Ni3 square pyramids,  a cornercorner with one O(7)NaNi3 trigonal pyramid, edges with two equivalent O(1)Na3Ni3 octahedra,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(6)Na2Ni3 square pyramid, edges with two equivalent O(2)Na2Ni3 square pyramids, and edges with two equivalent O(8)Na2Ni3 square pyramids. In the seventh O site, O(7) is bonded to one Na(1), one Ni(1), and two equivalent Ni(3) atoms to form ONaNi3 trigonal pyramids that share  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(6)Na2Ni3 square pyramid,  a cornercorner with one O(8)Na2Ni3 square pyramid, corners with two equivalent O(2)Na2Ni3 square pyramids, corners with three equivalent O(4)Na2Ni3 square pyramids, edges with two equivalent O(1)Na3Ni3 octahedra, edges with two equivalent O(3)Na2Ni3 square pyramids, and  an edgeedge with one O(7)NaNi3 trigonal pyramid. In the eighth O site, O(8) is bonded to one Na(1), one Na(4), one Ni(2), and two equivalent Ni(4) atoms to form ONa2Ni3 square pyramids that share  a cornercorner with one O(1)Na3Ni3 octahedra,  a cornercorner with one O(3)Na2Ni3 square pyramid,  a cornercorner with one O(4)Na2Ni3 square pyramid,  a cornercorner with one O(6)Na2Ni3 square pyramid,  a cornercorner with one O(8)Na2Ni3 square pyramid, corners with two equivalent O(2)Na2Ni3 square pyramids,  a cornercorner with one O(7)NaNi3 trigonal pyramid, edges with two equivalent O(1)Na3Ni3 octahedra,  an edgeedge with one O(2)Na2Ni3 square pyramid,  an edgeedge with one O(4)Na2Ni3 square pyramid,  an edgeedge with one O(8)Na2Ni3 square pyramid, and edges with two equivalent O(6)Na2Ni3 square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Na5(NiO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.784
_cell_length_b   6.797
_cell_length_c   8.110
_cell_angle_alpha   81.396
_cell_angle_beta   78.009
_cell_angle_gamma   78.901
_symmetry_Int_Tables_number   1
_cell_volume   304.033
_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
  Na  Na0  1  0.786  0.275  0.729  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Na  Na2  1  0.214  0.725  0.271  1.0
  Na  Na3  1  0.500  0.000  0.000  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.623  0.879  0.625  1.0
  Ni  Ni6  1  0.372  0.627  0.874  1.0
  Ni  Ni7  1  0.122  0.880  0.628  1.0
  Ni  Ni8  1  0.628  0.373  0.126  1.0
  Ni  Ni9  1  0.377  0.121  0.375  1.0
  Ni  Ni10  1  0.872  0.629  0.877  1.0
  Ni  Ni11  1  0.128  0.371  0.123  1.0
  Ni  Ni12  1  0.878  0.120  0.372  1.0
  O  O13  1  0.839  0.907  0.794  1.0
  O  O14  1  0.649  0.610  0.710  1.0
  O  O15  1  0.601  0.149  0.537  1.0
  O  O16  1  0.320  0.909  0.780  1.0
  O  O17  1  0.830  0.392  0.279  1.0
  O  O18  1  0.399  0.851  0.463  1.0
  O  O19  1  0.680  0.091  0.220  1.0
  O  O20  1  0.170  0.608  0.721  1.0
  O  O21  1  0.570  0.653  0.029  1.0
  O  O22  1  0.075  0.149  0.523  1.0
  O  O23  1  0.351  0.390  0.290  1.0
  O  O24  1  0.161  0.093  0.206  1.0
  O  O25  1  0.430  0.347  0.971  1.0
  O  O26  1  0.925  0.851  0.477  1.0
  O  O27  1  0.096  0.646  0.041  1.0
  O  O28  1  0.904  0.354  0.959  1.0
[/CIF]
.