The structure described by LiVAlO4 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(14), one O(16), one O(21), one O(4), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Al(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(22), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Al(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. In the third Li site, Li(3) is bonded to one O(1), one O(13), one O(17), one O(19), one O(3), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. In the fourth Li site, Li(4) is bonded to one O(14), one O(18), one O(2), one O(20), one O(4), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. In the fifth Li site, Li(5) is bonded to one O(11), one O(19), one O(21), one O(23), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the sixth Li site, Li(6) is bonded to one O(12), one O(20), one O(22), one O(24), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Al(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(16), one O(2), one O(21), one O(23), one O(4), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Al(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the second V site, V(2) is bonded to one O(1), one O(13), one O(15), one O(19), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. In the third V site, V(3) is bonded to one O(14), one O(16), one O(2), one O(20), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(15), one O(22), one O(24), and one O(3) atom to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Al(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the fifth V site, V(5) is bonded to one O(11), one O(17), one O(19), one O(23), one O(5), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. In the sixth V site, V(6) is bonded to one O(10), one O(12), one O(18), one O(20), one O(24), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(13), one O(15), one O(17), one O(3), one O(5), and one O(7) atom to form AlO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the second Al site, Al(2) is bonded to one O(14), one O(16), one O(18), one O(4), one O(6), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the third Al site, Al(3) is bonded to one O(11), one O(17), one O(19), one O(21), one O(7), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the fourth Al site, Al(4) is bonded to one O(10), one O(12), one O(18), one O(20), one O(22), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the fifth Al site, Al(5) is bonded to one O(11), one O(14), one O(2), one O(21), one O(23), and one O(4) atom to form AlO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the sixth Al site, Al(6) is bonded to one O(1), one O(12), one O(13), one O(22), one O(24), and one O(3) atom to form AlO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one V(4), and one Al(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(3), and one Al(5) atom. In the third O site, O(3) is bonded to one Li(2), one Li(3), one V(4), one Al(1), and one Al(6) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(22)Li2Al2V square pyramid,  a cornercorner with one O(19)Li2AlV2 square pyramid, corners with two equivalent O(17)LiAl2V trigonal pyramids,  an edgeedge with one O(12)Li2Al2V square pyramid,  an edgeedge with one O(22)Li2Al2V square pyramid,  an edgeedge with one O(7)Li2Al2V square pyramid, and edges with two equivalent O(13)Li2Al2V square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one V(1), one Al(2), and one Al(5) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(21)Li2Al2V square pyramid,  a cornercorner with one O(20)Li2AlV2 square pyramid, corners with two equivalent O(18)LiAl2V trigonal pyramids,  an edgeedge with one O(11)Li2Al2V square pyramid,  an edgeedge with one O(21)Li2Al2V square pyramid,  an edgeedge with one O(8)Li2Al2V square pyramid, and edges with two equivalent O(14)Li2Al2V square pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(5), one V(2), one V(5), and one Al(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(6), one V(3), one V(6), and one Al(2) atom. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one V(2), one Al(1), and one Al(3) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(13)Li2Al2V square pyramid, corners with two equivalent O(21)Li2Al2V square pyramids,  a cornercorner with one O(17)LiAl2V trigonal pyramid,  an edgeedge with one O(11)Li2Al2V square pyramid,  an edgeedge with one O(13)Li2Al2V square pyramid,  an edgeedge with one O(3)Li2Al2V square pyramid, edges with two equivalent O(19)Li2AlV2 square pyramids, and  an edgeedge with one O(17)LiAl2V trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(4), one Li(6), one V(3), one Al(2), and one Al(4) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(14)Li2Al2V square pyramid, corners with two equivalent O(22)Li2Al2V square pyramids,  a cornercorner with one O(18)LiAl2V trigonal pyramid,  an edgeedge with one O(12)Li2Al2V square pyramid,  an edgeedge with one O(14)Li2Al2V square pyramid,  an edgeedge with one O(4)Li2Al2V square pyramid, edges with two equivalent O(20)Li2AlV2 square pyramids, and  an edgeedge with one O(18)LiAl2V trigonal pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(5), and one Al(3) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one V(6), and one Al(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(5), one V(5), one Al(3), and one Al(5) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(19)Li2AlV2 square pyramid, corners with two equivalent O(14)Li2Al2V square pyramids, corners with two equivalent O(17)LiAl2V trigonal pyramids,  an edgeedge with one O(4)Li2Al2V square pyramid,  an edgeedge with one O(7)Li2Al2V square pyramid,  an edgeedge with one O(19)Li2AlV2 square pyramid, and edges with two equivalent O(21)Li2Al2V square pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(6), one V(6), one Al(4), and one Al(6) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(20)Li2AlV2 square pyramid, corners with two equivalent O(13)Li2Al2V square pyramids, corners with two equivalent O(18)LiAl2V trigonal pyramids,  an edgeedge with one O(3)Li2Al2V square pyramid,  an edgeedge with one O(8)Li2Al2V square pyramid,  an edgeedge with one O(20)Li2AlV2 square pyramid, and edges with two equivalent O(22)Li2Al2V square pyramids. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(3), one V(2), one Al(1), and one Al(6) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(7)Li2Al2V square pyramid, corners with two equivalent O(12)Li2Al2V square pyramids,  an edgeedge with one O(22)Li2Al2V square pyramid,  an edgeedge with one O(7)Li2Al2V square pyramid,  an edgeedge with one O(19)Li2AlV2 square pyramid, edges with two equivalent O(3)Li2Al2V square pyramids, and  an edgeedge with one O(17)LiAl2V trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(4), one V(3), one Al(2), and one Al(5) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(8)Li2Al2V square pyramid, corners with two equivalent O(11)Li2Al2V square pyramids,  an edgeedge with one O(21)Li2Al2V square pyramid,  an edgeedge with one O(8)Li2Al2V square pyramid,  an edgeedge with one O(20)Li2AlV2 square pyramid, edges with two equivalent O(4)Li2Al2V square pyramids, and  an edgeedge with one O(18)LiAl2V trigonal pyramid. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(4), and one Al(1) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(3), and one Al(2) atom. In the seventeenth O site, O(17) is bonded to one Li(3), one V(5), one Al(1), and one Al(3) atom to form OLiAl2V trigonal pyramids that share  a cornercorner with one O(21)Li2Al2V square pyramid,  a cornercorner with one O(7)Li2Al2V square pyramid,  a cornercorner with one O(19)Li2AlV2 square pyramid, corners with two equivalent O(11)Li2Al2V square pyramids, corners with two equivalent O(3)Li2Al2V square pyramids,  an edgeedge with one O(13)Li2Al2V square pyramid,  an edgeedge with one O(7)Li2Al2V square pyramid, and  an edgeedge with one O(19)Li2AlV2 square pyramid. In the eighteenth O site, O(18) is bonded to one Li(4), one V(6), one Al(2), and one Al(4) atom to form OLiAl2V trigonal pyramids that share  a cornercorner with one O(22)Li2Al2V square pyramid,  a cornercorner with one O(8)Li2Al2V square pyramid,  a cornercorner with one O(20)Li2AlV2 square pyramid, corners with two equivalent O(12)Li2Al2V square pyramids, corners with two equivalent O(4)Li2Al2V square pyramids,  an edgeedge with one O(14)Li2Al2V square pyramid,  an edgeedge with one O(8)Li2Al2V square pyramid, and  an edgeedge with one O(20)Li2AlV2 square pyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(5), one V(2), one V(5), and one Al(3) atom to form OLi2AlV2 square pyramids that share  a cornercorner with one O(11)Li2Al2V square pyramid,  a cornercorner with one O(3)Li2Al2V square pyramid,  a cornercorner with one O(17)LiAl2V trigonal pyramid,  an edgeedge with one O(11)Li2Al2V square pyramid,  an edgeedge with one O(13)Li2Al2V square pyramid,  an edgeedge with one O(21)Li2Al2V square pyramid, edges with two equivalent O(7)Li2Al2V square pyramids, and  an edgeedge with one O(17)LiAl2V trigonal pyramid. In the twentieth O site, O(20) is bonded to one Li(4), one Li(6), one V(3), one V(6), and one Al(4) atom to form OLi2AlV2 square pyramids that share  a cornercorner with one O(12)Li2Al2V square pyramid,  a cornercorner with one O(4)Li2Al2V square pyramid,  a cornercorner with one O(18)LiAl2V trigonal pyramid,  an edgeedge with one O(12)Li2Al2V square pyramid,  an edgeedge with one O(14)Li2Al2V square pyramid,  an edgeedge with one O(22)Li2Al2V square pyramid, edges with two equivalent O(8)Li2Al2V square pyramids, and  an edgeedge with one O(18)LiAl2V trigonal pyramid. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(5), one V(1), one Al(3), and one Al(5) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(4)Li2Al2V square pyramid, corners with two equivalent O(7)Li2Al2V square pyramids,  a cornercorner with one O(17)LiAl2V trigonal pyramid,  an edgeedge with one O(14)Li2Al2V square pyramid,  an edgeedge with one O(4)Li2Al2V square pyramid,  an edgeedge with one O(19)Li2AlV2 square pyramid, and edges with two equivalent O(11)Li2Al2V square pyramids. In the twenty-second O site, O(22) is bonded to one Li(2), one Li(6), one V(4), one Al(4), and one Al(6) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(3)Li2Al2V square pyramid, corners with two equivalent O(8)Li2Al2V square pyramids,  a cornercorner with one O(18)LiAl2V trigonal pyramid,  an edgeedge with one O(13)Li2Al2V square pyramid,  an edgeedge with one O(3)Li2Al2V square pyramid,  an edgeedge with one O(20)Li2AlV2 square pyramid, and edges with two equivalent O(12)Li2Al2V square pyramids. In the twenty-third O site, O(23) is bonded in a see-saw-like geometry to one Li(5), one V(1), one V(5), and one Al(5) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Li(6), one V(4), one V(6), and one Al(6) atom. is represented by the CIF card [CIF]
data_LiAlVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.246
_cell_length_b   5.788
_cell_length_c   7.675
_cell_angle_alpha   101.483
_cell_angle_beta   108.131
_cell_angle_gamma   91.332
_symmetry_Int_Tables_number   1
_cell_volume   216.132
_cell_formula_units_Z   3
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
  Al  Al0  1  0.519  0.580  0.341  1.0
  Al  Al1  1  0.505  0.415  0.666  1.0
  Al  Al2  1  0.502  0.256  0.998  1.0
  Li  Li3  1  0.004  0.508  0.997  1.0
  Li  Li4  1  0.002  0.358  0.346  1.0
  Li  Li5  1  0.989  0.151  0.662  1.0
  O  O6  1  0.688  0.046  0.149  1.0
  O  O7  1  0.714  0.535  0.162  1.0
  O  O8  1  0.696  0.881  0.495  1.0
  O  O9  1  0.705  0.358  0.483  1.0
  O  O10  1  0.708  0.699  0.823  1.0
  O  O11  1  0.705  0.225  0.821  1.0
  O  O12  1  0.295  0.303  0.175  1.0
  O  O13  1  0.304  0.780  0.184  1.0
  O  O14  1  0.314  0.606  0.509  1.0
  O  O15  1  0.277  0.137  0.513  1.0
  O  O16  1  0.298  0.461  0.852  1.0
  O  O17  1  0.302  0.969  0.836  1.0
  V  V18  1  0.517  0.751  0.003  1.0
  V  V19  1  0.463  0.080  0.323  1.0
  V  V20  1  0.494  0.910  0.666  1.0
[/CIF]
.
The structure described by LiVAlO4 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(14), one O(16), one O(21), one O(4), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Al(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(22), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Al(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. In the third Li site, Li(3) is bonded to one O(1), one O(13), one O(17), one O(19), one O(3), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. In the fourth Li site, Li(4) is bonded to one O(14), one O(18), one O(2), one O(20), one O(4), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. In the fifth Li site, Li(5) is bonded to one O(11), one O(19), one O(21), one O(23), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the sixth Li site, Li(6) is bonded to one O(12), one O(20), one O(22), one O(24), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Al(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(16), one O(2), one O(21), one O(23), one O(4), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Al(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the second V site, V(2) is bonded to one O(1), one O(13), one O(15), one O(19), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. In the third V site, V(3) is bonded to one O(14), one O(16), one O(2), one O(20), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(15), one O(22), one O(24), and one O(3) atom to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Al(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the fifth V site, V(5) is bonded to one O(11), one O(17), one O(19), one O(23), one O(5), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. In the sixth V site, V(6) is bonded to one O(10), one O(12), one O(18), one O(20), one O(24), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(13), one O(15), one O(17), one O(3), one O(5), and one O(7) atom to form AlO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the second Al site, Al(2) is bonded to one O(14), one O(16), one O(18), one O(4), one O(6), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the third Al site, Al(3) is bonded to one O(11), one O(17), one O(19), one O(21), one O(7), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the fourth Al site, Al(4) is bonded to one O(10), one O(12), one O(18), one O(20), one O(22), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the fifth Al site, Al(5) is bonded to one O(11), one O(14), one O(2), one O(21), one O(23), and one O(4) atom to form AlO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the sixth Al site, Al(6) is bonded to one O(1), one O(12), one O(13), one O(22), one O(24), and one O(3) atom to form AlO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one V(4), and one Al(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(3), and one Al(5) atom. In the third O site, O(3) is bonded to one Li(2), one Li(3), one V(4), one Al(1), and one Al(6) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(22)Li2Al2V square pyramid,  a cornercorner with one O(19)Li2AlV2 square pyramid, corners with two equivalent O(17)LiAl2V trigonal pyramids,  an edgeedge with one O(12)Li2Al2V square pyramid,  an edgeedge with one O(22)Li2Al2V square pyramid,  an edgeedge with one O(7)Li2Al2V square pyramid, and edges with two equivalent O(13)Li2Al2V square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one V(1), one Al(2), and one Al(5) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(21)Li2Al2V square pyramid,  a cornercorner with one O(20)Li2AlV2 square pyramid, corners with two equivalent O(18)LiAl2V trigonal pyramids,  an edgeedge with one O(11)Li2Al2V square pyramid,  an edgeedge with one O(21)Li2Al2V square pyramid,  an edgeedge with one O(8)Li2Al2V square pyramid, and edges with two equivalent O(14)Li2Al2V square pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(5), one V(2), one V(5), and one Al(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(6), one V(3), one V(6), and one Al(2) atom. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one V(2), one Al(1), and one Al(3) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(13)Li2Al2V square pyramid, corners with two equivalent O(21)Li2Al2V square pyramids,  a cornercorner with one O(17)LiAl2V trigonal pyramid,  an edgeedge with one O(11)Li2Al2V square pyramid,  an edgeedge with one O(13)Li2Al2V square pyramid,  an edgeedge with one O(3)Li2Al2V square pyramid, edges with two equivalent O(19)Li2AlV2 square pyramids, and  an edgeedge with one O(17)LiAl2V trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(4), one Li(6), one V(3), one Al(2), and one Al(4) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(14)Li2Al2V square pyramid, corners with two equivalent O(22)Li2Al2V square pyramids,  a cornercorner with one O(18)LiAl2V trigonal pyramid,  an edgeedge with one O(12)Li2Al2V square pyramid,  an edgeedge with one O(14)Li2Al2V square pyramid,  an edgeedge with one O(4)Li2Al2V square pyramid, edges with two equivalent O(20)Li2AlV2 square pyramids, and  an edgeedge with one O(18)LiAl2V trigonal pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(5), and one Al(3) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one V(6), and one Al(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(5), one V(5), one Al(3), and one Al(5) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(19)Li2AlV2 square pyramid, corners with two equivalent O(14)Li2Al2V square pyramids, corners with two equivalent O(17)LiAl2V trigonal pyramids,  an edgeedge with one O(4)Li2Al2V square pyramid,  an edgeedge with one O(7)Li2Al2V square pyramid,  an edgeedge with one O(19)Li2AlV2 square pyramid, and edges with two equivalent O(21)Li2Al2V square pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(6), one V(6), one Al(4), and one Al(6) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(20)Li2AlV2 square pyramid, corners with two equivalent O(13)Li2Al2V square pyramids, corners with two equivalent O(18)LiAl2V trigonal pyramids,  an edgeedge with one O(3)Li2Al2V square pyramid,  an edgeedge with one O(8)Li2Al2V square pyramid,  an edgeedge with one O(20)Li2AlV2 square pyramid, and edges with two equivalent O(22)Li2Al2V square pyramids. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(3), one V(2), one Al(1), and one Al(6) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(7)Li2Al2V square pyramid, corners with two equivalent O(12)Li2Al2V square pyramids,  an edgeedge with one O(22)Li2Al2V square pyramid,  an edgeedge with one O(7)Li2Al2V square pyramid,  an edgeedge with one O(19)Li2AlV2 square pyramid, edges with two equivalent O(3)Li2Al2V square pyramids, and  an edgeedge with one O(17)LiAl2V trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(4), one V(3), one Al(2), and one Al(5) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(8)Li2Al2V square pyramid, corners with two equivalent O(11)Li2Al2V square pyramids,  an edgeedge with one O(21)Li2Al2V square pyramid,  an edgeedge with one O(8)Li2Al2V square pyramid,  an edgeedge with one O(20)Li2AlV2 square pyramid, edges with two equivalent O(4)Li2Al2V square pyramids, and  an edgeedge with one O(18)LiAl2V trigonal pyramid. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(4), and one Al(1) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(3), and one Al(2) atom. In the seventeenth O site, O(17) is bonded to one Li(3), one V(5), one Al(1), and one Al(3) atom to form OLiAl2V trigonal pyramids that share  a cornercorner with one O(21)Li2Al2V square pyramid,  a cornercorner with one O(7)Li2Al2V square pyramid,  a cornercorner with one O(19)Li2AlV2 square pyramid, corners with two equivalent O(11)Li2Al2V square pyramids, corners with two equivalent O(3)Li2Al2V square pyramids,  an edgeedge with one O(13)Li2Al2V square pyramid,  an edgeedge with one O(7)Li2Al2V square pyramid, and  an edgeedge with one O(19)Li2AlV2 square pyramid. In the eighteenth O site, O(18) is bonded to one Li(4), one V(6), one Al(2), and one Al(4) atom to form OLiAl2V trigonal pyramids that share  a cornercorner with one O(22)Li2Al2V square pyramid,  a cornercorner with one O(8)Li2Al2V square pyramid,  a cornercorner with one O(20)Li2AlV2 square pyramid, corners with two equivalent O(12)Li2Al2V square pyramids, corners with two equivalent O(4)Li2Al2V square pyramids,  an edgeedge with one O(14)Li2Al2V square pyramid,  an edgeedge with one O(8)Li2Al2V square pyramid, and  an edgeedge with one O(20)Li2AlV2 square pyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(5), one V(2), one V(5), and one Al(3) atom to form OLi2AlV2 square pyramids that share  a cornercorner with one O(11)Li2Al2V square pyramid,  a cornercorner with one O(3)Li2Al2V square pyramid,  a cornercorner with one O(17)LiAl2V trigonal pyramid,  an edgeedge with one O(11)Li2Al2V square pyramid,  an edgeedge with one O(13)Li2Al2V square pyramid,  an edgeedge with one O(21)Li2Al2V square pyramid, edges with two equivalent O(7)Li2Al2V square pyramids, and  an edgeedge with one O(17)LiAl2V trigonal pyramid. In the twentieth O site, O(20) is bonded to one Li(4), one Li(6), one V(3), one V(6), and one Al(4) atom to form OLi2AlV2 square pyramids that share  a cornercorner with one O(12)Li2Al2V square pyramid,  a cornercorner with one O(4)Li2Al2V square pyramid,  a cornercorner with one O(18)LiAl2V trigonal pyramid,  an edgeedge with one O(12)Li2Al2V square pyramid,  an edgeedge with one O(14)Li2Al2V square pyramid,  an edgeedge with one O(22)Li2Al2V square pyramid, edges with two equivalent O(8)Li2Al2V square pyramids, and  an edgeedge with one O(18)LiAl2V trigonal pyramid. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(5), one V(1), one Al(3), and one Al(5) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(4)Li2Al2V square pyramid, corners with two equivalent O(7)Li2Al2V square pyramids,  a cornercorner with one O(17)LiAl2V trigonal pyramid,  an edgeedge with one O(14)Li2Al2V square pyramid,  an edgeedge with one O(4)Li2Al2V square pyramid,  an edgeedge with one O(19)Li2AlV2 square pyramid, and edges with two equivalent O(11)Li2Al2V square pyramids. In the twenty-second O site, O(22) is bonded to one Li(2), one Li(6), one V(4), one Al(4), and one Al(6) atom to form OLi2Al2V square pyramids that share  a cornercorner with one O(3)Li2Al2V square pyramid, corners with two equivalent O(8)Li2Al2V square pyramids,  a cornercorner with one O(18)LiAl2V trigonal pyramid,  an edgeedge with one O(13)Li2Al2V square pyramid,  an edgeedge with one O(3)Li2Al2V square pyramid,  an edgeedge with one O(20)Li2AlV2 square pyramid, and edges with two equivalent O(12)Li2Al2V square pyramids. In the twenty-third O site, O(23) is bonded in a see-saw-like geometry to one Li(5), one V(1), one V(5), and one Al(5) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Li(6), one V(4), one V(6), and one Al(6) atom. is represented by the CIF card [CIF]
data_LiAlVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.246
_cell_length_b   5.788
_cell_length_c   7.675
_cell_angle_alpha   101.483
_cell_angle_beta   108.131
_cell_angle_gamma   91.332
_symmetry_Int_Tables_number   1
_cell_volume   216.132
_cell_formula_units_Z   3
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
  Al  Al0  1  0.519  0.580  0.341  1.0
  Al  Al1  1  0.505  0.415  0.666  1.0
  Al  Al2  1  0.502  0.256  0.998  1.0
  Li  Li3  1  0.004  0.508  0.997  1.0
  Li  Li4  1  0.002  0.358  0.346  1.0
  Li  Li5  1  0.989  0.151  0.662  1.0
  O  O6  1  0.688  0.046  0.149  1.0
  O  O7  1  0.714  0.535  0.162  1.0
  O  O8  1  0.696  0.881  0.495  1.0
  O  O9  1  0.705  0.358  0.483  1.0
  O  O10  1  0.708  0.699  0.823  1.0
  O  O11  1  0.705  0.225  0.821  1.0
  O  O12  1  0.295  0.303  0.175  1.0
  O  O13  1  0.304  0.780  0.184  1.0
  O  O14  1  0.314  0.606  0.509  1.0
  O  O15  1  0.277  0.137  0.513  1.0
  O  O16  1  0.298  0.461  0.852  1.0
  O  O17  1  0.302  0.969  0.836  1.0
  V  V18  1  0.517  0.751  0.003  1.0
  V  V19  1  0.463  0.080  0.323  1.0
  V  V20  1  0.494  0.910  0.666  1.0
[/CIF]
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