The crystal structure described by Li3VAl2O6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent V(1)O5 trigonal bipyramids, corners with two equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one V(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid, and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent V(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one Al(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one V(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid, and  an edgeedge with one Al(2)O5 trigonal bipyramid. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Al(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Al(2)O5 trigonal bipyramids. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent V(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Al(2)O5 trigonal bipyramids. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one V(1)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent V(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), one Al(1), and one Al(2) atom to form OLi2Al2V trigonal bipyramids that share  a cornercorner with one O(6)Li2Al2V trigonal bipyramid,  a cornercorner with one O(3)Li4Al trigonal bipyramid, corners with two equivalent O(4)Li3AlV trigonal bipyramids, corners with four equivalent O(5)Li2Al2V trigonal bipyramids,  an edgeedge with one O(4)Li3AlV trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(2)Li2Al2V trigonal bipyramids, and edges with two equivalent O(6)Li2Al2V trigonal bipyramids. In the second O site, O(2) is bonded to one Li(2), one Li(3), one V(1), one Al(1), and one Al(2) atom to form OLi2Al2V trigonal bipyramids that share  a cornercorner with one O(5)Li2Al2V trigonal bipyramid,  a cornercorner with one O(4)Li3AlV trigonal bipyramid, corners with two equivalent O(3)Li4Al trigonal bipyramids, corners with four equivalent O(6)Li2Al2V trigonal bipyramids,  an edgeedge with one O(4)Li3AlV trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(1)Li2Al2V trigonal bipyramids, and edges with two equivalent O(5)Li2Al2V trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one Al(1) atom to form OLi4Al trigonal bipyramids that share  a cornercorner with one O(1)Li2Al2V trigonal bipyramid,  a cornercorner with one O(6)Li2Al2V trigonal bipyramid, corners with two equivalent O(2)Li2Al2V trigonal bipyramids, corners with two equivalent O(5)Li2Al2V trigonal bipyramids, corners with two equivalent O(4)Li3AlV trigonal bipyramids,  an edgeedge with one O(1)Li2Al2V trigonal bipyramid,  an edgeedge with one O(2)Li2Al2V trigonal bipyramid,  an edgeedge with one O(5)Li2Al2V trigonal bipyramid,  an edgeedge with one O(6)Li2Al2V trigonal bipyramid,  an edgeedge with one O(4)Li3AlV trigonal bipyramid, and  an edgeedge with one O(3)Li4Al trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), one V(1), and one Al(2) atom to form OLi3AlV trigonal bipyramids that share  a cornercorner with one O(2)Li2Al2V trigonal bipyramid,  a cornercorner with one O(5)Li2Al2V trigonal bipyramid, corners with two equivalent O(1)Li2Al2V trigonal bipyramids, corners with two equivalent O(6)Li2Al2V trigonal bipyramids, corners with two equivalent O(3)Li4Al trigonal bipyramids,  an edgeedge with one O(1)Li2Al2V trigonal bipyramid,  an edgeedge with one O(2)Li2Al2V trigonal bipyramid,  an edgeedge with one O(5)Li2Al2V trigonal bipyramid,  an edgeedge with one O(6)Li2Al2V trigonal bipyramid,  an edgeedge with one O(4)Li3AlV trigonal bipyramid, and  an edgeedge with one O(3)Li4Al trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one V(1), one Al(1), and one Al(2) atom to form OLi2Al2V trigonal bipyramids that share  a cornercorner with one O(2)Li2Al2V trigonal bipyramid,  a cornercorner with one O(4)Li3AlV trigonal bipyramid, corners with two equivalent O(3)Li4Al trigonal bipyramids, corners with four equivalent O(1)Li2Al2V trigonal bipyramids,  an edgeedge with one O(4)Li3AlV trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(2)Li2Al2V trigonal bipyramids, and edges with two equivalent O(6)Li2Al2V trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(1), one Al(1), and one Al(2) atom to form OLi2Al2V trigonal bipyramids that share  a cornercorner with one O(1)Li2Al2V trigonal bipyramid,  a cornercorner with one O(3)Li4Al trigonal bipyramid, corners with two equivalent O(4)Li3AlV trigonal bipyramids, corners with four equivalent O(2)Li2Al2V trigonal bipyramids,  an edgeedge with one O(4)Li3AlV trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(1)Li2Al2V trigonal bipyramids, and edges with two equivalent O(5)Li2Al2V trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Al2VO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.197
_cell_length_b   5.884
_cell_length_c   9.990
_cell_angle_alpha   54.983
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.882
_cell_formula_units_Z   4
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  0.505  0.203  0.140  1.0
  Li  Li1  1  0.844  0.194  0.123  1.0
  Li  Li2  1  0.501  0.741  0.614  1.0
  Li  Li3  1  0.344  0.806  0.377  1.0
  Li  Li4  1  0.001  0.259  0.886  1.0
  Li  Li5  1  0.005  0.797  0.360  1.0
  Li  Li6  1  0.995  0.203  0.640  1.0
  Li  Li7  1  0.999  0.741  0.114  1.0
  Li  Li8  1  0.656  0.194  0.623  1.0
  Li  Li9  1  0.499  0.259  0.386  1.0
  Li  Li10  1  0.156  0.806  0.877  1.0
  Li  Li11  1  0.495  0.797  0.860  1.0
  Al  Al12  1  0.165  0.212  0.122  1.0
  Al  Al13  1  0.837  0.701  0.626  1.0
  Al  Al14  1  0.665  0.788  0.378  1.0
  Al  Al15  1  0.337  0.299  0.874  1.0
  Al  Al16  1  0.663  0.701  0.126  1.0
  Al  Al17  1  0.335  0.212  0.622  1.0
  Al  Al18  1  0.163  0.299  0.374  1.0
  Al  Al19  1  0.835  0.788  0.878  1.0
  V  V20  1  0.164  0.713  0.626  1.0
  V  V21  1  0.664  0.287  0.874  1.0
  V  V22  1  0.336  0.713  0.126  1.0
  V  V23  1  0.836  0.287  0.374  1.0
  O  O24  1  0.172  0.995  0.368  1.0
  O  O25  1  0.820  0.490  0.862  1.0
  O  O26  1  0.517  0.936  0.377  1.0
  O  O27  1  0.496  0.433  0.872  1.0
  O  O28  1  0.187  0.459  0.882  1.0
  O  O29  1  0.822  0.940  0.389  1.0
  O  O30  1  0.322  0.060  0.111  1.0
  O  O31  1  0.687  0.541  0.618  1.0
  O  O32  1  0.996  0.567  0.628  1.0
  O  O33  1  0.017  0.064  0.123  1.0
  O  O34  1  0.672  0.005  0.132  1.0
  O  O35  1  0.320  0.510  0.638  1.0
  O  O36  1  0.680  0.490  0.362  1.0
  O  O37  1  0.328  0.995  0.868  1.0
  O  O38  1  0.983  0.936  0.877  1.0
  O  O39  1  0.004  0.433  0.372  1.0
  O  O40  1  0.313  0.459  0.382  1.0
  O  O41  1  0.678  0.940  0.889  1.0
  O  O42  1  0.178  0.060  0.611  1.0
  O  O43  1  0.813  0.541  0.118  1.0
  O  O44  1  0.504  0.567  0.128  1.0
  O  O45  1  0.483  0.064  0.623  1.0
  O  O46  1  0.180  0.510  0.138  1.0
  O  O47  1  0.828  0.005  0.632  1.0
[/CIF]
.
The crystal structure described by Li3VAl2O6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent V(1)O5 trigonal bipyramids, corners with two equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one V(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid, and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent V(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one Al(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one V(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid, and  an edgeedge with one Al(2)O5 trigonal bipyramid. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Al(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Al(2)O5 trigonal bipyramids. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent V(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Al(2)O5 trigonal bipyramids. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one V(1)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent V(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), one Al(1), and one Al(2) atom to form OLi2Al2V trigonal bipyramids that share  a cornercorner with one O(6)Li2Al2V trigonal bipyramid,  a cornercorner with one O(3)Li4Al trigonal bipyramid, corners with two equivalent O(4)Li3AlV trigonal bipyramids, corners with four equivalent O(5)Li2Al2V trigonal bipyramids,  an edgeedge with one O(4)Li3AlV trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(2)Li2Al2V trigonal bipyramids, and edges with two equivalent O(6)Li2Al2V trigonal bipyramids. In the second O site, O(2) is bonded to one Li(2), one Li(3), one V(1), one Al(1), and one Al(2) atom to form OLi2Al2V trigonal bipyramids that share  a cornercorner with one O(5)Li2Al2V trigonal bipyramid,  a cornercorner with one O(4)Li3AlV trigonal bipyramid, corners with two equivalent O(3)Li4Al trigonal bipyramids, corners with four equivalent O(6)Li2Al2V trigonal bipyramids,  an edgeedge with one O(4)Li3AlV trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(1)Li2Al2V trigonal bipyramids, and edges with two equivalent O(5)Li2Al2V trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one Al(1) atom to form OLi4Al trigonal bipyramids that share  a cornercorner with one O(1)Li2Al2V trigonal bipyramid,  a cornercorner with one O(6)Li2Al2V trigonal bipyramid, corners with two equivalent O(2)Li2Al2V trigonal bipyramids, corners with two equivalent O(5)Li2Al2V trigonal bipyramids, corners with two equivalent O(4)Li3AlV trigonal bipyramids,  an edgeedge with one O(1)Li2Al2V trigonal bipyramid,  an edgeedge with one O(2)Li2Al2V trigonal bipyramid,  an edgeedge with one O(5)Li2Al2V trigonal bipyramid,  an edgeedge with one O(6)Li2Al2V trigonal bipyramid,  an edgeedge with one O(4)Li3AlV trigonal bipyramid, and  an edgeedge with one O(3)Li4Al trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), one V(1), and one Al(2) atom to form OLi3AlV trigonal bipyramids that share  a cornercorner with one O(2)Li2Al2V trigonal bipyramid,  a cornercorner with one O(5)Li2Al2V trigonal bipyramid, corners with two equivalent O(1)Li2Al2V trigonal bipyramids, corners with two equivalent O(6)Li2Al2V trigonal bipyramids, corners with two equivalent O(3)Li4Al trigonal bipyramids,  an edgeedge with one O(1)Li2Al2V trigonal bipyramid,  an edgeedge with one O(2)Li2Al2V trigonal bipyramid,  an edgeedge with one O(5)Li2Al2V trigonal bipyramid,  an edgeedge with one O(6)Li2Al2V trigonal bipyramid,  an edgeedge with one O(4)Li3AlV trigonal bipyramid, and  an edgeedge with one O(3)Li4Al trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one V(1), one Al(1), and one Al(2) atom to form OLi2Al2V trigonal bipyramids that share  a cornercorner with one O(2)Li2Al2V trigonal bipyramid,  a cornercorner with one O(4)Li3AlV trigonal bipyramid, corners with two equivalent O(3)Li4Al trigonal bipyramids, corners with four equivalent O(1)Li2Al2V trigonal bipyramids,  an edgeedge with one O(4)Li3AlV trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(2)Li2Al2V trigonal bipyramids, and edges with two equivalent O(6)Li2Al2V trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(1), one Al(1), and one Al(2) atom to form OLi2Al2V trigonal bipyramids that share  a cornercorner with one O(1)Li2Al2V trigonal bipyramid,  a cornercorner with one O(3)Li4Al trigonal bipyramid, corners with two equivalent O(4)Li3AlV trigonal bipyramids, corners with four equivalent O(2)Li2Al2V trigonal bipyramids,  an edgeedge with one O(4)Li3AlV trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(1)Li2Al2V trigonal bipyramids, and edges with two equivalent O(5)Li2Al2V trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Al2VO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.197
_cell_length_b   5.884
_cell_length_c   9.990
_cell_angle_alpha   54.983
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.882
_cell_formula_units_Z   4
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  0.505  0.203  0.140  1.0
  Li  Li1  1  0.844  0.194  0.123  1.0
  Li  Li2  1  0.501  0.741  0.614  1.0
  Li  Li3  1  0.344  0.806  0.377  1.0
  Li  Li4  1  0.001  0.259  0.886  1.0
  Li  Li5  1  0.005  0.797  0.360  1.0
  Li  Li6  1  0.995  0.203  0.640  1.0
  Li  Li7  1  0.999  0.741  0.114  1.0
  Li  Li8  1  0.656  0.194  0.623  1.0
  Li  Li9  1  0.499  0.259  0.386  1.0
  Li  Li10  1  0.156  0.806  0.877  1.0
  Li  Li11  1  0.495  0.797  0.860  1.0
  Al  Al12  1  0.165  0.212  0.122  1.0
  Al  Al13  1  0.837  0.701  0.626  1.0
  Al  Al14  1  0.665  0.788  0.378  1.0
  Al  Al15  1  0.337  0.299  0.874  1.0
  Al  Al16  1  0.663  0.701  0.126  1.0
  Al  Al17  1  0.335  0.212  0.622  1.0
  Al  Al18  1  0.163  0.299  0.374  1.0
  Al  Al19  1  0.835  0.788  0.878  1.0
  V  V20  1  0.164  0.713  0.626  1.0
  V  V21  1  0.664  0.287  0.874  1.0
  V  V22  1  0.336  0.713  0.126  1.0
  V  V23  1  0.836  0.287  0.374  1.0
  O  O24  1  0.172  0.995  0.368  1.0
  O  O25  1  0.820  0.490  0.862  1.0
  O  O26  1  0.517  0.936  0.377  1.0
  O  O27  1  0.496  0.433  0.872  1.0
  O  O28  1  0.187  0.459  0.882  1.0
  O  O29  1  0.822  0.940  0.389  1.0
  O  O30  1  0.322  0.060  0.111  1.0
  O  O31  1  0.687  0.541  0.618  1.0
  O  O32  1  0.996  0.567  0.628  1.0
  O  O33  1  0.017  0.064  0.123  1.0
  O  O34  1  0.672  0.005  0.132  1.0
  O  O35  1  0.320  0.510  0.638  1.0
  O  O36  1  0.680  0.490  0.362  1.0
  O  O37  1  0.328  0.995  0.868  1.0
  O  O38  1  0.983  0.936  0.877  1.0
  O  O39  1  0.004  0.433  0.372  1.0
  O  O40  1  0.313  0.459  0.382  1.0
  O  O41  1  0.678  0.940  0.889  1.0
  O  O42  1  0.178  0.060  0.611  1.0
  O  O43  1  0.813  0.541  0.118  1.0
  O  O44  1  0.504  0.567  0.128  1.0
  O  O45  1  0.483  0.064  0.623  1.0
  O  O46  1  0.180  0.510  0.138  1.0
  O  O47  1  0.828  0.005  0.632  1.0
[/CIF]
.