The material described by Li4V3Cu3(TeO8)2 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, and corners with three equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-67°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with three equivalent Te(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-68°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form VO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the third V site, V(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form distorted CuO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second Cu site, Cu(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form distorted CuO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the third Cu site, Cu(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form CuO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the second Te site, Te(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are sixteen 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 Cu(3), and one Te(1) atom. In the second O site, O(2) is bonded to one Li(4), one Cu(1), one Cu(2), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OLiCu2Te tetrahedra. In the third O site, O(3) is bonded to one Li(1), one V(1), one Cu(1), and one Cu(2) atom to form distorted OLiVCu2 tetrahedra that share  a cornercorner with one O(12)LiVCuTe tetrahedra, corners with three equivalent O(4)LiVCu2 tetrahedra,  a cornercorner with one O(15)LiV2Te trigonal pyramid, and  an edgeedge with one O(2)LiCu2Te tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one V(1), one Cu(1), and one Cu(2) atom to form OLiVCu2 tetrahedra that share corners with two equivalent O(2)LiCu2Te tetrahedra and corners with three equivalent O(3)LiVCu2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one V(2), one V(3), and one Cu(3) atom to form OLiV2Cu tetrahedra that share corners with two equivalent O(12)LiVCuTe tetrahedra and corners with two equivalent O(15)LiV2Te trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(3), one Cu(3), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(4), one V(1), one Cu(1), and one Te(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(4), one V(1), one Cu(2), and one Te(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cu(1), one Cu(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one V(3), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one V(2), one Cu(3), and one Te(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), one V(3), one Cu(3), and one Te(2) atom to form distorted OLiVCuTe tetrahedra that share  a cornercorner with one O(3)LiVCu2 tetrahedra, corners with two equivalent O(5)LiV2Cu tetrahedra,  a cornercorner with one O(15)LiV2Te trigonal pyramid, and  an edgeedge with one O(15)LiV2Te trigonal pyramid. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(2), one V(3), and one Cu(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one Cu(1), and one Te(2) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one V(2), one V(3), and one Te(2) atom to form distorted OLiV2Te trigonal pyramids that share  a cornercorner with one O(3)LiVCu2 tetrahedra,  a cornercorner with one O(12)LiVCuTe tetrahedra, corners with two equivalent O(5)LiV2Cu tetrahedra, and  an edgeedge with one O(12)LiVCuTe tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one Cu(2), and one Te(2) atom. is represented by the CIF file [CIF]
data_Li4V3Cu3(TeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.986
_cell_length_c   9.895
_cell_angle_alpha   92.461
_cell_angle_beta   89.995
_cell_angle_gamma   119.518
_symmetry_Int_Tables_number   1
_cell_volume   304.845
_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  0.336  0.668  0.915  1.0
  Li  Li1  1  0.004  0.009  0.987  1.0
  Li  Li2  1  0.998  0.999  0.478  1.0
  Li  Li3  1  0.655  0.307  0.408  1.0
  V  V4  1  0.176  0.352  0.223  1.0
  V  V5  1  0.831  0.183  0.719  1.0
  V  V6  1  0.349  0.181  0.714  1.0
  Cu  Cu7  1  0.659  0.832  0.208  1.0
  Cu  Cu8  1  0.174  0.832  0.208  1.0
  Cu  Cu9  1  0.833  0.667  0.707  1.0
  Te  Te10  1  0.332  0.666  0.487  1.0
  Te  Te11  1  0.674  0.348  0.988  1.0
  O  O12  1  0.664  0.840  0.587  1.0
  O  O13  1  0.469  0.938  0.353  1.0
  O  O14  1  0.319  0.636  0.117  1.0
  O  O15  1  0.008  0.017  0.286  1.0
  O  O16  1  0.998  0.018  0.795  1.0
  O  O17  1  0.174  0.844  0.585  1.0
  O  O18  1  0.453  0.476  0.364  1.0
  O  O19  1  0.023  0.479  0.363  1.0
  O  O20  1  0.841  0.682  0.083  1.0
  O  O21  1  0.170  0.349  0.601  1.0
  O  O22  1  0.966  0.469  0.853  1.0
  O  O23  1  0.505  0.468  0.852  1.0
  O  O24  1  0.673  0.313  0.609  1.0
  O  O25  1  0.838  0.193  0.088  1.0
  O  O26  1  0.529  0.041  0.845  1.0
  O  O27  1  0.353  0.190  0.087  1.0
[/CIF]
.
The material described by Li4V3Cu3(TeO8)2 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, and corners with three equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-67°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with three equivalent Te(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-68°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form VO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the third V site, V(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form distorted CuO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second Cu site, Cu(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form distorted CuO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the third Cu site, Cu(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form CuO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the second Te site, Te(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are sixteen 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 Cu(3), and one Te(1) atom. In the second O site, O(2) is bonded to one Li(4), one Cu(1), one Cu(2), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OLiCu2Te tetrahedra. In the third O site, O(3) is bonded to one Li(1), one V(1), one Cu(1), and one Cu(2) atom to form distorted OLiVCu2 tetrahedra that share  a cornercorner with one O(12)LiVCuTe tetrahedra, corners with three equivalent O(4)LiVCu2 tetrahedra,  a cornercorner with one O(15)LiV2Te trigonal pyramid, and  an edgeedge with one O(2)LiCu2Te tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one V(1), one Cu(1), and one Cu(2) atom to form OLiVCu2 tetrahedra that share corners with two equivalent O(2)LiCu2Te tetrahedra and corners with three equivalent O(3)LiVCu2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one V(2), one V(3), and one Cu(3) atom to form OLiV2Cu tetrahedra that share corners with two equivalent O(12)LiVCuTe tetrahedra and corners with two equivalent O(15)LiV2Te trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(3), one Cu(3), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(4), one V(1), one Cu(1), and one Te(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(4), one V(1), one Cu(2), and one Te(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cu(1), one Cu(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one V(3), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one V(2), one Cu(3), and one Te(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), one V(3), one Cu(3), and one Te(2) atom to form distorted OLiVCuTe tetrahedra that share  a cornercorner with one O(3)LiVCu2 tetrahedra, corners with two equivalent O(5)LiV2Cu tetrahedra,  a cornercorner with one O(15)LiV2Te trigonal pyramid, and  an edgeedge with one O(15)LiV2Te trigonal pyramid. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(2), one V(3), and one Cu(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one Cu(1), and one Te(2) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one V(2), one V(3), and one Te(2) atom to form distorted OLiV2Te trigonal pyramids that share  a cornercorner with one O(3)LiVCu2 tetrahedra,  a cornercorner with one O(12)LiVCuTe tetrahedra, corners with two equivalent O(5)LiV2Cu tetrahedra, and  an edgeedge with one O(12)LiVCuTe tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one Cu(2), and one Te(2) atom. is represented by the CIF file [CIF]
data_Li4V3Cu3(TeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.986
_cell_length_c   9.895
_cell_angle_alpha   92.461
_cell_angle_beta   89.995
_cell_angle_gamma   119.518
_symmetry_Int_Tables_number   1
_cell_volume   304.845
_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  0.336  0.668  0.915  1.0
  Li  Li1  1  0.004  0.009  0.987  1.0
  Li  Li2  1  0.998  0.999  0.478  1.0
  Li  Li3  1  0.655  0.307  0.408  1.0
  V  V4  1  0.176  0.352  0.223  1.0
  V  V5  1  0.831  0.183  0.719  1.0
  V  V6  1  0.349  0.181  0.714  1.0
  Cu  Cu7  1  0.659  0.832  0.208  1.0
  Cu  Cu8  1  0.174  0.832  0.208  1.0
  Cu  Cu9  1  0.833  0.667  0.707  1.0
  Te  Te10  1  0.332  0.666  0.487  1.0
  Te  Te11  1  0.674  0.348  0.988  1.0
  O  O12  1  0.664  0.840  0.587  1.0
  O  O13  1  0.469  0.938  0.353  1.0
  O  O14  1  0.319  0.636  0.117  1.0
  O  O15  1  0.008  0.017  0.286  1.0
  O  O16  1  0.998  0.018  0.795  1.0
  O  O17  1  0.174  0.844  0.585  1.0
  O  O18  1  0.453  0.476  0.364  1.0
  O  O19  1  0.023  0.479  0.363  1.0
  O  O20  1  0.841  0.682  0.083  1.0
  O  O21  1  0.170  0.349  0.601  1.0
  O  O22  1  0.966  0.469  0.853  1.0
  O  O23  1  0.505  0.468  0.852  1.0
  O  O24  1  0.673  0.313  0.609  1.0
  O  O25  1  0.838  0.193  0.088  1.0
  O  O26  1  0.529  0.041  0.845  1.0
  O  O27  1  0.353  0.190  0.087  1.0
[/CIF]
.