The compound described by Li4Ti11O24 is beta indium sulfide-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(8), and two equivalent O(18) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, and corners with two equivalent Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Li site, Li(2) is bonded to one O(16), one O(17), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, and corners with two equivalent Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the third Li site, Li(3) is bonded to one O(14), one O(15), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, and corners with two equivalent Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the fourth Li site, Li(4) is bonded to one O(17), one O(5), two equivalent O(18), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(16), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(7), two equivalent O(12), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(7)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(11), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(15), one O(9), two equivalent O(11), and two equivalent O(13) atoms to form TiO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. In the fifth Ti site, Ti(5) is bonded to one O(14), one O(8), two equivalent O(11), and two equivalent O(12) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(10), two equivalent O(13), and two equivalent O(18) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(7)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. In the seventh Ti site, Ti(7) is bonded to one O(10), one O(12), one O(14), one O(17), one O(18), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. In the eighth Ti site, Ti(8) is bonded to one O(1), one O(13), one O(15), one O(16), one O(2), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ti(6) and two equivalent Ti(8) atoms. In the second O site, O(2) is bonded to one Li(1), one Ti(2), and two equivalent Ti(8) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one Ti(8) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Ti(1), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(4) and two equivalent Ti(3) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Ti(3) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(7) atoms. In the eighth O site, O(8) is bonded to one Li(1), one Ti(5), and two equivalent Ti(3) atoms to form distorted corner-sharing OLiTi3 tetrahedra. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4) and two equivalent Ti(3) atoms. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(6) and two equivalent Ti(7) atoms. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(3), one Ti(4), and one Ti(5) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(5), and one Ti(7) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4), one Ti(6), and one Ti(8) atom. In the fourteenth O site, O(14) is bonded to one Li(3), one Ti(5), and two equivalent Ti(7) atoms to form distorted corner-sharing OLiTi3 trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Li(3), one Ti(4), and two equivalent Ti(8) atoms to form distorted corner-sharing OLiTi3 trigonal pyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Ti(1), and two equivalent Ti(8) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), and two equivalent Ti(7) atoms. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one Ti(6), and one Ti(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti11O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.304
_cell_length_b   10.304
_cell_length_c   8.454
_cell_angle_alpha   65.930
_cell_angle_beta   65.930
_cell_angle_gamma   33.754
_symmetry_Int_Tables_number   1
_cell_volume   451.181
_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  0.002  0.002  0.999  1.0
  Li  Li1  1  0.334  0.334  0.671  1.0
  Li  Li2  1  0.831  0.831  0.416  1.0
  Li  Li3  1  0.417  0.417  0.208  1.0
  Ti  Ti4  1  0.254  0.254  0.371  1.0
  Ti  Ti5  1  0.085  0.085  0.527  1.0
  Ti  Ti6  1  0.096  0.577  0.046  1.0
  Ti  Ti7  1  0.577  0.096  0.046  1.0
  Ti  Ti8  1  0.747  0.747  0.892  1.0
  Ti  Ti9  1  0.918  0.918  0.708  1.0
  Ti  Ti10  1  0.578  0.578  0.044  1.0
  Ti  Ti11  1  0.256  0.740  0.371  1.0
  Ti  Ti12  1  0.914  0.418  0.708  1.0
  Ti  Ti13  1  0.418  0.914  0.708  1.0
  Ti  Ti14  1  0.740  0.256  0.371  1.0
  O  O15  1  0.593  0.593  0.795  1.0
  O  O16  1  0.093  0.093  0.773  1.0
  O  O17  1  0.382  0.949  0.479  1.0
  O  O18  1  0.949  0.382  0.479  1.0
  O  O19  1  0.560  0.094  0.280  1.0
  O  O20  1  0.094  0.560  0.280  1.0
  O  O21  1  0.403  0.403  0.973  1.0
  O  O22  1  0.260  0.260  0.132  1.0
  O  O23  1  0.073  0.073  0.320  1.0
  O  O24  1  0.909  0.909  0.953  1.0
  O  O25  1  0.761  0.761  0.095  1.0
  O  O26  1  0.572  0.572  0.285  1.0
  O  O27  1  0.054  0.614  0.803  1.0
  O  O28  1  0.614  0.054  0.803  1.0
  O  O29  1  0.784  0.214  0.610  1.0
  O  O30  1  0.886  0.450  0.938  1.0
  O  O31  1  0.450  0.886  0.938  1.0
  O  O32  1  0.214  0.784  0.610  1.0
  O  O33  1  0.924  0.924  0.462  1.0
  O  O34  1  0.740  0.740  0.642  1.0
  O  O35  1  0.242  0.242  0.621  1.0
  O  O36  1  0.428  0.428  0.448  1.0
  O  O37  1  0.740  0.273  0.137  1.0
  O  O38  1  0.273  0.740  0.137  1.0
[/CIF]
.
The compound described by Li4Ti11O24 is beta indium sulfide-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(8), and two equivalent O(18) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, and corners with two equivalent Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Li site, Li(2) is bonded to one O(16), one O(17), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, and corners with two equivalent Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the third Li site, Li(3) is bonded to one O(14), one O(15), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, and corners with two equivalent Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the fourth Li site, Li(4) is bonded to one O(17), one O(5), two equivalent O(18), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(16), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(7), two equivalent O(12), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(7)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(11), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(15), one O(9), two equivalent O(11), and two equivalent O(13) atoms to form TiO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. In the fifth Ti site, Ti(5) is bonded to one O(14), one O(8), two equivalent O(11), and two equivalent O(12) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(10), two equivalent O(13), and two equivalent O(18) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(7)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. In the seventh Ti site, Ti(7) is bonded to one O(10), one O(12), one O(14), one O(17), one O(18), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(7)O6 octahedra. In the eighth Ti site, Ti(8) is bonded to one O(1), one O(13), one O(15), one O(16), one O(2), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(8)O6 octahedra. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ti(6) and two equivalent Ti(8) atoms. In the second O site, O(2) is bonded to one Li(1), one Ti(2), and two equivalent Ti(8) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one Ti(8) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Ti(1), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(4) and two equivalent Ti(3) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Ti(3) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(7) atoms. In the eighth O site, O(8) is bonded to one Li(1), one Ti(5), and two equivalent Ti(3) atoms to form distorted corner-sharing OLiTi3 tetrahedra. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4) and two equivalent Ti(3) atoms. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(6) and two equivalent Ti(7) atoms. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(3), one Ti(4), and one Ti(5) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(5), and one Ti(7) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4), one Ti(6), and one Ti(8) atom. In the fourteenth O site, O(14) is bonded to one Li(3), one Ti(5), and two equivalent Ti(7) atoms to form distorted corner-sharing OLiTi3 trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Li(3), one Ti(4), and two equivalent Ti(8) atoms to form distorted corner-sharing OLiTi3 trigonal pyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Ti(1), and two equivalent Ti(8) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 trigonal pyramids. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), and two equivalent Ti(7) atoms. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one Ti(6), and one Ti(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti11O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.304
_cell_length_b   10.304
_cell_length_c   8.454
_cell_angle_alpha   65.930
_cell_angle_beta   65.930
_cell_angle_gamma   33.754
_symmetry_Int_Tables_number   1
_cell_volume   451.181
_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  0.002  0.002  0.999  1.0
  Li  Li1  1  0.334  0.334  0.671  1.0
  Li  Li2  1  0.831  0.831  0.416  1.0
  Li  Li3  1  0.417  0.417  0.208  1.0
  Ti  Ti4  1  0.254  0.254  0.371  1.0
  Ti  Ti5  1  0.085  0.085  0.527  1.0
  Ti  Ti6  1  0.096  0.577  0.046  1.0
  Ti  Ti7  1  0.577  0.096  0.046  1.0
  Ti  Ti8  1  0.747  0.747  0.892  1.0
  Ti  Ti9  1  0.918  0.918  0.708  1.0
  Ti  Ti10  1  0.578  0.578  0.044  1.0
  Ti  Ti11  1  0.256  0.740  0.371  1.0
  Ti  Ti12  1  0.914  0.418  0.708  1.0
  Ti  Ti13  1  0.418  0.914  0.708  1.0
  Ti  Ti14  1  0.740  0.256  0.371  1.0
  O  O15  1  0.593  0.593  0.795  1.0
  O  O16  1  0.093  0.093  0.773  1.0
  O  O17  1  0.382  0.949  0.479  1.0
  O  O18  1  0.949  0.382  0.479  1.0
  O  O19  1  0.560  0.094  0.280  1.0
  O  O20  1  0.094  0.560  0.280  1.0
  O  O21  1  0.403  0.403  0.973  1.0
  O  O22  1  0.260  0.260  0.132  1.0
  O  O23  1  0.073  0.073  0.320  1.0
  O  O24  1  0.909  0.909  0.953  1.0
  O  O25  1  0.761  0.761  0.095  1.0
  O  O26  1  0.572  0.572  0.285  1.0
  O  O27  1  0.054  0.614  0.803  1.0
  O  O28  1  0.614  0.054  0.803  1.0
  O  O29  1  0.784  0.214  0.610  1.0
  O  O30  1  0.886  0.450  0.938  1.0
  O  O31  1  0.450  0.886  0.938  1.0
  O  O32  1  0.214  0.784  0.610  1.0
  O  O33  1  0.924  0.924  0.462  1.0
  O  O34  1  0.740  0.740  0.642  1.0
  O  O35  1  0.242  0.242  0.621  1.0
  O  O36  1  0.428  0.428  0.448  1.0
  O  O37  1  0.740  0.273  0.137  1.0
  O  O38  1  0.273  0.740  0.137  1.0
[/CIF]
.