The compound described by K3LiTi7O16 crystallizes in the triclinic P1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(14), one O(3), and one O(7) atom. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(16), one O(3), and one O(8) atom. In the third K site, K(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(14), one O(3), and one O(7) atom. Li(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(6), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(15), one O(2), one O(3), and one O(5) atom. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), one O(5), one O(7), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. In the third Ti site, Ti(3) is bonded to one O(11), one O(13), one O(15), one O(16), one O(4), and one O(7) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(13), one O(14), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the fifth Ti site, Ti(5) is bonded to one O(1), one O(10), one O(13), one O(2), one O(4), and one O(6) atom to form distorted TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. In the sixth Ti site, Ti(6) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(9) atom. In the seventh Ti site, Ti(7) is bonded to one O(14), one O(15), one O(16), one O(2), one O(6), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(2), one K(3), one Ti(1), and one Ti(5) atom. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Ti(5), and one Ti(7) atom to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(11)LiTi3 trigonal pyramid,  a cornercorner with one O(13)Ti4 trigonal pyramid, corners with two equivalent O(9)LiTi3 trigonal pyramids,  an edgeedge with one O(4)LiTi3 trigonal pyramid,  an edgeedge with one O(6)LiTi3 trigonal pyramid,  an edgeedge with one O(15)Ti4 trigonal pyramid, and  an edgeedge with one O(5)Ti4 trigonal pyramid. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one Li(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Ti(2), one Ti(3), and one Ti(5) atom to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(15)Ti4 trigonal pyramid,  a cornercorner with one O(5)Ti4 trigonal pyramid, corners with two equivalent O(6)LiTi3 trigonal pyramids,  an edgeedge with one O(11)LiTi3 trigonal pyramid,  an edgeedge with one O(9)LiTi3 trigonal pyramid,  an edgeedge with one O(13)Ti4 trigonal pyramid, and  an edgeedge with one O(2)Ti4 trigonal pyramid. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(2), one Ti(4), and one Ti(6) atom to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(4)LiTi3 trigonal pyramid,  a cornercorner with one O(6)LiTi3 trigonal pyramid, corners with two equivalent O(15)Ti4 trigonal pyramids,  an edgeedge with one O(11)LiTi3 trigonal pyramid,  an edgeedge with one O(9)LiTi3 trigonal pyramid,  an edgeedge with one O(13)Ti4 trigonal pyramid, and  an edgeedge with one O(2)Ti4 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Ti(4), one Ti(5), and one Ti(7) atom to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(15)Ti4 trigonal pyramid,  a cornercorner with one O(5)Ti4 trigonal pyramid, corners with two equivalent O(4)LiTi3 trigonal pyramids,  an edgeedge with one O(11)LiTi3 trigonal pyramid,  an edgeedge with one O(9)LiTi3 trigonal pyramid,  an edgeedge with one O(13)Ti4 trigonal pyramid, and  an edgeedge with one O(2)Ti4 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one K(1), one K(3), one Ti(2), and one Ti(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one K(2), one Ti(2), and one Ti(4) atom. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Ti(6), and one Ti(7) atom to form OLiTi3 trigonal pyramids that share  a cornercorner with one O(11)LiTi3 trigonal pyramid,  a cornercorner with one O(13)Ti4 trigonal pyramid, corners with two equivalent O(2)Ti4 trigonal pyramids,  an edgeedge with one O(4)LiTi3 trigonal pyramid,  an edgeedge with one O(6)LiTi3 trigonal pyramid,  an edgeedge with one O(15)Ti4 trigonal pyramid, and  an edgeedge with one O(5)Ti4 trigonal pyramid. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one K(1), one K(2), one K(3), one Ti(5), and one Ti(6) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(1), one Ti(3), and one Ti(4) atom to form OLiTi3 trigonal pyramids that share  a cornercorner with one O(9)LiTi3 trigonal pyramid,  a cornercorner with one O(2)Ti4 trigonal pyramid, corners with two equivalent O(13)Ti4 trigonal pyramids,  an edgeedge with one O(4)LiTi3 trigonal pyramid,  an edgeedge with one O(6)LiTi3 trigonal pyramid,  an edgeedge with one O(15)Ti4 trigonal pyramid, and  an edgeedge with one O(5)Ti4 trigonal pyramid. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one Li(1), and one Ti(6) atom. In the thirteenth O site, O(13) is bonded to one Ti(3), one Ti(4), one Ti(5), and one Ti(6) atom to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(9)LiTi3 trigonal pyramid,  a cornercorner with one O(2)Ti4 trigonal pyramid, corners with two equivalent O(11)LiTi3 trigonal pyramids,  an edgeedge with one O(4)LiTi3 trigonal pyramid,  an edgeedge with one O(6)LiTi3 trigonal pyramid,  an edgeedge with one O(15)Ti4 trigonal pyramid, and  an edgeedge with one O(5)Ti4 trigonal pyramid. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one K(1), one K(3), one Ti(4), and one Ti(7) atom. In the fifteenth O site, O(15) is bonded to one Ti(1), one Ti(3), one Ti(6), and one Ti(7) atom to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(4)LiTi3 trigonal pyramid,  a cornercorner with one O(6)LiTi3 trigonal pyramid, corners with two equivalent O(5)Ti4 trigonal pyramids,  an edgeedge with one O(11)LiTi3 trigonal pyramid,  an edgeedge with one O(9)LiTi3 trigonal pyramid,  an edgeedge with one O(13)Ti4 trigonal pyramid, and  an edgeedge with one O(2)Ti4 trigonal pyramid. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one K(2), one Ti(3), and one Ti(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3LiTi7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.107
_cell_length_b   7.141
_cell_length_c   8.207
_cell_angle_alpha   97.239
_cell_angle_beta   97.138
_cell_angle_gamma   114.988
_symmetry_Int_Tables_number   1
_cell_volume   367.152
_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
  K  K0  1  0.730  0.267  0.036  1.0
  K  K1  1  0.440  0.564  0.007  1.0
  K  K2  1  0.162  0.876  0.032  1.0
  Li  Li3  1  0.531  0.156  0.374  1.0
  Ti  Ti4  1  0.769  0.910  0.358  1.0
  Ti  Ti5  1  0.717  0.590  0.627  1.0
  Ti  Ti6  1  0.963  0.343  0.628  1.0
  Ti  Ti7  1  0.473  0.849  0.626  1.0
  Ti  Ti8  1  0.033  0.658  0.382  1.0
  Ti  Ti9  1  0.286  0.394  0.358  1.0
  Ti  Ti10  1  0.224  0.096  0.627  1.0
  O  O11  1  0.866  0.733  0.234  1.0
  O  O12  1  0.959  0.831  0.579  1.0
  O  O13  1  0.615  0.961  0.206  1.0
  O  O14  1  0.807  0.430  0.446  1.0
  O  O15  1  0.546  0.671  0.434  1.0
  O  O16  1  0.290  0.917  0.445  1.0
  O  O17  1  0.870  0.495  0.775  1.0
  O  O18  1  0.627  0.752  0.768  1.0
  O  O19  1  0.446  0.337  0.566  1.0
  O  O20  1  0.126  0.508  0.234  1.0
  O  O21  1  0.713  0.071  0.567  1.0
  O  O22  1  0.363  0.267  0.206  1.0
  O  O23  1  0.205  0.584  0.579  1.0
  O  O24  1  0.391  0.017  0.774  1.0
  O  O25  1  0.045  0.169  0.428  1.0
  O  O26  1  0.131  0.256  0.766  1.0
[/CIF]
.
The compound described by K3LiTi7O16 crystallizes in the triclinic P1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(14), one O(3), and one O(7) atom. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(16), one O(3), and one O(8) atom. In the third K site, K(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(14), one O(3), and one O(7) atom. Li(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(6), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(15), one O(2), one O(3), and one O(5) atom. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), one O(5), one O(7), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. In the third Ti site, Ti(3) is bonded to one O(11), one O(13), one O(15), one O(16), one O(4), and one O(7) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(13), one O(14), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the fifth Ti site, Ti(5) is bonded to one O(1), one O(10), one O(13), one O(2), one O(4), and one O(6) atom to form distorted TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. In the sixth Ti site, Ti(6) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(9) atom. In the seventh Ti site, Ti(7) is bonded to one O(14), one O(15), one O(16), one O(2), one O(6), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(2), one K(3), one Ti(1), and one Ti(5) atom. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Ti(5), and one Ti(7) atom to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(11)LiTi3 trigonal pyramid,  a cornercorner with one O(13)Ti4 trigonal pyramid, corners with two equivalent O(9)LiTi3 trigonal pyramids,  an edgeedge with one O(4)LiTi3 trigonal pyramid,  an edgeedge with one O(6)LiTi3 trigonal pyramid,  an edgeedge with one O(15)Ti4 trigonal pyramid, and  an edgeedge with one O(5)Ti4 trigonal pyramid. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one Li(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Ti(2), one Ti(3), and one Ti(5) atom to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(15)Ti4 trigonal pyramid,  a cornercorner with one O(5)Ti4 trigonal pyramid, corners with two equivalent O(6)LiTi3 trigonal pyramids,  an edgeedge with one O(11)LiTi3 trigonal pyramid,  an edgeedge with one O(9)LiTi3 trigonal pyramid,  an edgeedge with one O(13)Ti4 trigonal pyramid, and  an edgeedge with one O(2)Ti4 trigonal pyramid. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(2), one Ti(4), and one Ti(6) atom to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(4)LiTi3 trigonal pyramid,  a cornercorner with one O(6)LiTi3 trigonal pyramid, corners with two equivalent O(15)Ti4 trigonal pyramids,  an edgeedge with one O(11)LiTi3 trigonal pyramid,  an edgeedge with one O(9)LiTi3 trigonal pyramid,  an edgeedge with one O(13)Ti4 trigonal pyramid, and  an edgeedge with one O(2)Ti4 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Ti(4), one Ti(5), and one Ti(7) atom to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(15)Ti4 trigonal pyramid,  a cornercorner with one O(5)Ti4 trigonal pyramid, corners with two equivalent O(4)LiTi3 trigonal pyramids,  an edgeedge with one O(11)LiTi3 trigonal pyramid,  an edgeedge with one O(9)LiTi3 trigonal pyramid,  an edgeedge with one O(13)Ti4 trigonal pyramid, and  an edgeedge with one O(2)Ti4 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one K(1), one K(3), one Ti(2), and one Ti(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one K(2), one Ti(2), and one Ti(4) atom. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Ti(6), and one Ti(7) atom to form OLiTi3 trigonal pyramids that share  a cornercorner with one O(11)LiTi3 trigonal pyramid,  a cornercorner with one O(13)Ti4 trigonal pyramid, corners with two equivalent O(2)Ti4 trigonal pyramids,  an edgeedge with one O(4)LiTi3 trigonal pyramid,  an edgeedge with one O(6)LiTi3 trigonal pyramid,  an edgeedge with one O(15)Ti4 trigonal pyramid, and  an edgeedge with one O(5)Ti4 trigonal pyramid. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one K(1), one K(2), one K(3), one Ti(5), and one Ti(6) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(1), one Ti(3), and one Ti(4) atom to form OLiTi3 trigonal pyramids that share  a cornercorner with one O(9)LiTi3 trigonal pyramid,  a cornercorner with one O(2)Ti4 trigonal pyramid, corners with two equivalent O(13)Ti4 trigonal pyramids,  an edgeedge with one O(4)LiTi3 trigonal pyramid,  an edgeedge with one O(6)LiTi3 trigonal pyramid,  an edgeedge with one O(15)Ti4 trigonal pyramid, and  an edgeedge with one O(5)Ti4 trigonal pyramid. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one Li(1), and one Ti(6) atom. In the thirteenth O site, O(13) is bonded to one Ti(3), one Ti(4), one Ti(5), and one Ti(6) atom to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(9)LiTi3 trigonal pyramid,  a cornercorner with one O(2)Ti4 trigonal pyramid, corners with two equivalent O(11)LiTi3 trigonal pyramids,  an edgeedge with one O(4)LiTi3 trigonal pyramid,  an edgeedge with one O(6)LiTi3 trigonal pyramid,  an edgeedge with one O(15)Ti4 trigonal pyramid, and  an edgeedge with one O(5)Ti4 trigonal pyramid. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one K(1), one K(3), one Ti(4), and one Ti(7) atom. In the fifteenth O site, O(15) is bonded to one Ti(1), one Ti(3), one Ti(6), and one Ti(7) atom to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(4)LiTi3 trigonal pyramid,  a cornercorner with one O(6)LiTi3 trigonal pyramid, corners with two equivalent O(5)Ti4 trigonal pyramids,  an edgeedge with one O(11)LiTi3 trigonal pyramid,  an edgeedge with one O(9)LiTi3 trigonal pyramid,  an edgeedge with one O(13)Ti4 trigonal pyramid, and  an edgeedge with one O(2)Ti4 trigonal pyramid. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one K(2), one Ti(3), and one Ti(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3LiTi7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.107
_cell_length_b   7.141
_cell_length_c   8.207
_cell_angle_alpha   97.239
_cell_angle_beta   97.138
_cell_angle_gamma   114.988
_symmetry_Int_Tables_number   1
_cell_volume   367.152
_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
  K  K0  1  0.730  0.267  0.036  1.0
  K  K1  1  0.440  0.564  0.007  1.0
  K  K2  1  0.162  0.876  0.032  1.0
  Li  Li3  1  0.531  0.156  0.374  1.0
  Ti  Ti4  1  0.769  0.910  0.358  1.0
  Ti  Ti5  1  0.717  0.590  0.627  1.0
  Ti  Ti6  1  0.963  0.343  0.628  1.0
  Ti  Ti7  1  0.473  0.849  0.626  1.0
  Ti  Ti8  1  0.033  0.658  0.382  1.0
  Ti  Ti9  1  0.286  0.394  0.358  1.0
  Ti  Ti10  1  0.224  0.096  0.627  1.0
  O  O11  1  0.866  0.733  0.234  1.0
  O  O12  1  0.959  0.831  0.579  1.0
  O  O13  1  0.615  0.961  0.206  1.0
  O  O14  1  0.807  0.430  0.446  1.0
  O  O15  1  0.546  0.671  0.434  1.0
  O  O16  1  0.290  0.917  0.445  1.0
  O  O17  1  0.870  0.495  0.775  1.0
  O  O18  1  0.627  0.752  0.768  1.0
  O  O19  1  0.446  0.337  0.566  1.0
  O  O20  1  0.126  0.508  0.234  1.0
  O  O21  1  0.713  0.071  0.567  1.0
  O  O22  1  0.363  0.267  0.206  1.0
  O  O23  1  0.205  0.584  0.579  1.0
  O  O24  1  0.391  0.017  0.774  1.0
  O  O25  1  0.045  0.169  0.428  1.0
  O  O26  1  0.131  0.256  0.766  1.0
[/CIF]
.