The material described by Na6Np2H10S4O25 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(17), one O(21), one O(25), one O(5), and one O(6) atom to form NaO6 octahedra that share  a cornercorner with one Np(1)O7 pentagonal bipyramid,  a cornercorner with one Np(2)O7 pentagonal bipyramid,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra, and edges with two equivalent Na(4)O6 octahedra. In the second Na site, Na(2) is bonded to one O(1), one O(12), one O(14), one O(24), one O(5), and one O(8) atom to form distorted NaO6 octahedra that share corners with two equivalent Np(2)O7 pentagonal bipyramids,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(4)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, and  an edgeedge with one Na(4)O6 octahedra. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one H(3), one H(7), one H(8), one O(14), one O(16), one O(22), one O(7), and one O(9) atom. In the fourth Na site, Na(4) is bonded to one O(12), one O(13), one O(17), one O(21), one O(5), and one O(6) atom to form NaO6 octahedra that share  a cornercorner with one Np(1)O7 pentagonal bipyramid,  a cornercorner with one Np(2)O7 pentagonal bipyramid,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra, and edges with two equivalent Na(1)O6 octahedra. In the fifth Na site, Na(5) is bonded to one O(11), one O(13), one O(17), one O(2), one O(22), and one O(25) atom to form distorted NaO6 octahedra that share corners with two equivalent Np(1)O7 pentagonal bipyramids,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, and  an edgeedge with one Na(4)O6 octahedra. In the sixth Na site, Na(6) is bonded in a distorted hexagonal planar geometry to one H(7), one O(16), one O(19), one O(2), one O(20), and one O(8) atom. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to one O(11), one O(15), one O(2), one O(23), one O(4), one O(6), and one O(7) atom to form distorted NpO7 pentagonal bipyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra, corners with two equivalent Na(5)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra, corners with two equivalent S(3)O4 tetrahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the second Np site, Np(2) is bonded to one O(10), one O(14), one O(18), one O(20), one O(21), one O(24), and one O(3) atom to form distorted NpO7 pentagonal bipyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra, corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one S(3)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and  an edgeedge with one S(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(25) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(25) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Na(3) and one O(13) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(13) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(12) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(12) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one Na(3), one Na(6), and one O(16) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one Na(3) and one O(16) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(1) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(10), one O(3), one O(4), and one O(5) atom to form SO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Np(1)O7 pentagonal bipyramid, and corners with two equivalent Np(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 54-57°. In the second S site, S(2) is bonded to one O(11), one O(2), one O(8), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(5)O6 octahedra, and  an edgeedge with one Np(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 41-53°. In the third S site, S(3) is bonded to one O(15), one O(17), one O(18), and one O(23) atom to form SO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Np(2)O7 pentagonal bipyramid, and corners with two equivalent Np(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-57°. In the fourth S site, S(4) is bonded to one O(14), one O(19), one O(22), and one O(24) atom to form SO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, and  an edgeedge with one Np(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-55°. There are twenty-five inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Na(1), one Na(2), one H(10), and one H(9) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(5), one Na(6), one Np(1), and one S(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Np(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Np(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Na(4), and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Na(4), and one Np(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Na(3) and one Np(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Na(2), one Na(6), and one S(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(3) and one S(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Np(2) and one S(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Na(5), one Np(1), and one S(2) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Na(2), one Na(4), one H(5), and one H(6) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Na(4), one Na(5), one H(3), and one H(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Na(2), one Na(3), one Np(2), and one S(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Np(1) and one S(3) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one Na(3), one Na(6), one H(7), and one H(8) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(4), one Na(5), and one S(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Np(2) and one S(3) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Na(6) and one S(4) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Na(6) and one Np(2) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Na(1), one Na(4), and one Np(2) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Na(3), one Na(5), and one S(4) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 150 degrees geometry to one Np(1) and one S(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Na(2), one Np(2), and one S(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted water-like geometry to one Na(1), one Na(5), one H(1), and one H(2) atom. is represented by the CIF card [CIF]
data_Na6Np2H10S4O25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.105
_cell_length_b   7.938
_cell_length_c   10.817
_cell_angle_alpha   89.053
_cell_angle_beta   90.085
_cell_angle_gamma   90.294
_symmetry_Int_Tables_number   1
_cell_volume   610.052
_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
  Na  Na0  1  0.002  0.999  0.499  1.0
  Na  Na1  1  0.252  0.996  0.779  1.0
  Na  Na2  1  0.449  0.682  0.049  1.0
  Na  Na3  1  0.502  0.001  0.500  1.0
  Na  Na4  1  0.752  0.011  0.220  1.0
  Na  Na5  1  0.966  0.303  0.968  1.0
  Np  Np6  1  0.253  0.364  0.309  1.0
  Np  Np7  1  0.753  0.633  0.690  1.0
  H  H8  1  0.982  0.716  0.330  1.0
  H  H9  1  0.086  0.846  0.245  1.0
  H  H10  1  0.403  0.853  0.256  1.0
  H  H11  1  0.506  0.716  0.337  1.0
  H  H12  1  0.487  0.283  0.670  1.0
  H  H13  1  0.588  0.154  0.756  1.0
  H  H14  1  0.712  0.480  0.967  1.0
  H  H15  1  0.793  0.589  0.073  1.0
  H  H16  1  0.902  0.146  0.747  1.0
  H  H17  1  0.002  0.283  0.665  1.0
  S  S18  1  0.253  0.639  0.598  1.0
  S  S19  1  0.253  0.089  0.100  1.0
  S  S20  1  0.753  0.362  0.406  1.0
  S  S21  1  0.750  0.904  0.904  1.0
  O  O22  1  0.008  0.164  0.690  1.0
  O  O23  1  0.081  0.163  0.162  1.0
  O  O24  1  0.082  0.571  0.663  1.0
  O  O25  1  0.256  0.582  0.468  1.0
  O  O26  1  0.252  0.826  0.600  1.0
  O  O27  1  0.252  0.194  0.429  1.0
  O  O28  1  0.253  0.527  0.185  1.0
  O  O29  1  0.245  0.132  0.967  1.0
  O  O30  1  0.254  0.902  0.120  1.0
  O  O31  1  0.420  0.572  0.666  1.0
  O  O32  1  0.420  0.165  0.163  1.0
  O  O33  1  0.496  0.163  0.688  1.0
  O  O34  1  0.511  0.835  0.312  1.0
  O  O35  1  0.577  0.829  0.843  1.0
  O  O36  1  0.582  0.430  0.343  1.0
  O  O37  1  0.724  0.484  0.059  1.0
  O  O38  1  0.752  0.175  0.402  1.0
  O  O39  1  0.755  0.415  0.537  1.0
  O  O40  1  0.755  0.090  0.885  1.0
  O  O41  1  0.759  0.465  0.813  1.0
  O  O42  1  0.750  0.804  0.571  1.0
  O  O43  1  0.745  0.859  0.037  1.0
  O  O44  1  0.922  0.431  0.341  1.0
  O  O45  1  0.915  0.827  0.840  1.0
  O  O46  1  0.992  0.836  0.312  1.0
[/CIF]
.
The material described by Na6Np2H10S4O25 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(17), one O(21), one O(25), one O(5), and one O(6) atom to form NaO6 octahedra that share  a cornercorner with one Np(1)O7 pentagonal bipyramid,  a cornercorner with one Np(2)O7 pentagonal bipyramid,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra, and edges with two equivalent Na(4)O6 octahedra. In the second Na site, Na(2) is bonded to one O(1), one O(12), one O(14), one O(24), one O(5), and one O(8) atom to form distorted NaO6 octahedra that share corners with two equivalent Np(2)O7 pentagonal bipyramids,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(4)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, and  an edgeedge with one Na(4)O6 octahedra. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one H(3), one H(7), one H(8), one O(14), one O(16), one O(22), one O(7), and one O(9) atom. In the fourth Na site, Na(4) is bonded to one O(12), one O(13), one O(17), one O(21), one O(5), and one O(6) atom to form NaO6 octahedra that share  a cornercorner with one Np(1)O7 pentagonal bipyramid,  a cornercorner with one Np(2)O7 pentagonal bipyramid,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra, and edges with two equivalent Na(1)O6 octahedra. In the fifth Na site, Na(5) is bonded to one O(11), one O(13), one O(17), one O(2), one O(22), and one O(25) atom to form distorted NaO6 octahedra that share corners with two equivalent Np(1)O7 pentagonal bipyramids,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, and  an edgeedge with one Na(4)O6 octahedra. In the sixth Na site, Na(6) is bonded in a distorted hexagonal planar geometry to one H(7), one O(16), one O(19), one O(2), one O(20), and one O(8) atom. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to one O(11), one O(15), one O(2), one O(23), one O(4), one O(6), and one O(7) atom to form distorted NpO7 pentagonal bipyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra, corners with two equivalent Na(5)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra, corners with two equivalent S(3)O4 tetrahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the second Np site, Np(2) is bonded to one O(10), one O(14), one O(18), one O(20), one O(21), one O(24), and one O(3) atom to form distorted NpO7 pentagonal bipyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra, corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one S(3)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and  an edgeedge with one S(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(25) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(25) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Na(3) and one O(13) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(13) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(12) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(12) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one Na(3), one Na(6), and one O(16) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one Na(3) and one O(16) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(1) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(10), one O(3), one O(4), and one O(5) atom to form SO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Np(1)O7 pentagonal bipyramid, and corners with two equivalent Np(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 54-57°. In the second S site, S(2) is bonded to one O(11), one O(2), one O(8), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(5)O6 octahedra, and  an edgeedge with one Np(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 41-53°. In the third S site, S(3) is bonded to one O(15), one O(17), one O(18), and one O(23) atom to form SO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Np(2)O7 pentagonal bipyramid, and corners with two equivalent Np(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-57°. In the fourth S site, S(4) is bonded to one O(14), one O(19), one O(22), and one O(24) atom to form SO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, and  an edgeedge with one Np(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-55°. There are twenty-five inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Na(1), one Na(2), one H(10), and one H(9) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(5), one Na(6), one Np(1), and one S(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Np(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Np(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Na(4), and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Na(4), and one Np(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Na(3) and one Np(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Na(2), one Na(6), and one S(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(3) and one S(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Np(2) and one S(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Na(5), one Np(1), and one S(2) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Na(2), one Na(4), one H(5), and one H(6) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Na(4), one Na(5), one H(3), and one H(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Na(2), one Na(3), one Np(2), and one S(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Np(1) and one S(3) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one Na(3), one Na(6), one H(7), and one H(8) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(4), one Na(5), and one S(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Np(2) and one S(3) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Na(6) and one S(4) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Na(6) and one Np(2) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Na(1), one Na(4), and one Np(2) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Na(3), one Na(5), and one S(4) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 150 degrees geometry to one Np(1) and one S(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Na(2), one Np(2), and one S(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted water-like geometry to one Na(1), one Na(5), one H(1), and one H(2) atom. is represented by the CIF card [CIF]
data_Na6Np2H10S4O25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.105
_cell_length_b   7.938
_cell_length_c   10.817
_cell_angle_alpha   89.053
_cell_angle_beta   90.085
_cell_angle_gamma   90.294
_symmetry_Int_Tables_number   1
_cell_volume   610.052
_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
  Na  Na0  1  0.002  0.999  0.499  1.0
  Na  Na1  1  0.252  0.996  0.779  1.0
  Na  Na2  1  0.449  0.682  0.049  1.0
  Na  Na3  1  0.502  0.001  0.500  1.0
  Na  Na4  1  0.752  0.011  0.220  1.0
  Na  Na5  1  0.966  0.303  0.968  1.0
  Np  Np6  1  0.253  0.364  0.309  1.0
  Np  Np7  1  0.753  0.633  0.690  1.0
  H  H8  1  0.982  0.716  0.330  1.0
  H  H9  1  0.086  0.846  0.245  1.0
  H  H10  1  0.403  0.853  0.256  1.0
  H  H11  1  0.506  0.716  0.337  1.0
  H  H12  1  0.487  0.283  0.670  1.0
  H  H13  1  0.588  0.154  0.756  1.0
  H  H14  1  0.712  0.480  0.967  1.0
  H  H15  1  0.793  0.589  0.073  1.0
  H  H16  1  0.902  0.146  0.747  1.0
  H  H17  1  0.002  0.283  0.665  1.0
  S  S18  1  0.253  0.639  0.598  1.0
  S  S19  1  0.253  0.089  0.100  1.0
  S  S20  1  0.753  0.362  0.406  1.0
  S  S21  1  0.750  0.904  0.904  1.0
  O  O22  1  0.008  0.164  0.690  1.0
  O  O23  1  0.081  0.163  0.162  1.0
  O  O24  1  0.082  0.571  0.663  1.0
  O  O25  1  0.256  0.582  0.468  1.0
  O  O26  1  0.252  0.826  0.600  1.0
  O  O27  1  0.252  0.194  0.429  1.0
  O  O28  1  0.253  0.527  0.185  1.0
  O  O29  1  0.245  0.132  0.967  1.0
  O  O30  1  0.254  0.902  0.120  1.0
  O  O31  1  0.420  0.572  0.666  1.0
  O  O32  1  0.420  0.165  0.163  1.0
  O  O33  1  0.496  0.163  0.688  1.0
  O  O34  1  0.511  0.835  0.312  1.0
  O  O35  1  0.577  0.829  0.843  1.0
  O  O36  1  0.582  0.430  0.343  1.0
  O  O37  1  0.724  0.484  0.059  1.0
  O  O38  1  0.752  0.175  0.402  1.0
  O  O39  1  0.755  0.415  0.537  1.0
  O  O40  1  0.755  0.090  0.885  1.0
  O  O41  1  0.759  0.465  0.813  1.0
  O  O42  1  0.750  0.804  0.571  1.0
  O  O43  1  0.745  0.859  0.037  1.0
  O  O44  1  0.922  0.431  0.341  1.0
  O  O45  1  0.915  0.827  0.840  1.0
  O  O46  1  0.992  0.836  0.312  1.0
[/CIF]
.