The structure described by V9O17 crystallizes in the triclinic P1 space group. There are eighteen inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(14), one O(23), one O(25), one O(3), and one O(32) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the second V site, V(2) is bonded to one O(13), one O(24), one O(26), one O(31), one O(4), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. In the third V site, V(3) is bonded to one O(15), one O(2), one O(20), one O(21), one O(23), and one O(3) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the fourth V site, V(4) is bonded to one O(1), one O(16), one O(19), one O(22), one O(24), and one O(4) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the fifth V site, V(5) is bonded to one O(11), one O(14), one O(15), one O(23), one O(27), and one O(33) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the sixth V site, V(6) is bonded to one O(12), one O(13), one O(16), one O(24), one O(28), and one O(34) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the seventh V site, V(7) is bonded to one O(10), one O(11), one O(18), one O(27), one O(3), and one O(6) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the eighth V site, V(8) is bonded to one O(12), one O(17), one O(28), one O(4), one O(5), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the ninth V site, V(9) is bonded to one O(1), one O(16), one O(26), one O(31), one O(34), and one O(7) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-62°. In the tenth V site, V(10) is bonded to one O(15), one O(2), one O(25), one O(32), one O(33), and one O(8) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-62°. In the eleventh V site, V(11) is bonded to one O(19), one O(2), one O(22), one O(34), one O(7), and one O(8) atom to form a mixture of distorted edge, face, and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. In the twelfth V site, V(12) is bonded to one O(1), one O(20), one O(21), one O(33), one O(7), and one O(8) atom to form a mixture of distorted edge, face, and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the thirteenth V site, V(13) is bonded to one O(14), one O(17), one O(27), one O(30), one O(32), and one O(6) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fourteenth V site, V(14) is bonded to one O(13), one O(18), one O(28), one O(29), one O(31), and one O(5) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the fifteenth V site, V(15) is bonded to one O(1), one O(20), one O(21), one O(22), one O(26), and one O(8) atom to form a mixture of distorted edge, face, and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the sixteenth V site, V(16) is bonded to one O(19), one O(2), one O(21), one O(22), one O(25), and one O(7) atom to form a mixture of distorted edge, face, and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the seventeenth V site, V(17) is bonded to one O(10), one O(29), one O(30), one O(5), one O(6), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the eighteenth V site, V(18) is bonded to one O(11), one O(12), one O(17), one O(18), one O(29), and one O(30) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are thirty-four inequivalent O sites. In the first O site, O(1) is bonded to one V(12), one V(15), one V(4), and one V(9) atom to form distorted edge-sharing OV4 trigonal pyramids. In the second O site, O(2) is bonded to one V(10), one V(11), one V(16), and one V(3) atom to form distorted edge-sharing OV4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(7) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(2), one V(4), and one V(8) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(14), one V(17), and one V(8) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(13), one V(17), and one V(7) atom. In the seventh O site, O(7) is bonded to one V(11), one V(12), one V(16), and one V(9) atom to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the eighth O site, O(8) is bonded to one V(10), one V(11), one V(12), and one V(15) atom to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(17), one V(2), and one V(8) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(1), one V(17), and one V(7) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(18), one V(5), and one V(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(18), one V(6), and one V(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one V(14), one V(2), and one V(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one V(1), one V(13), and one V(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one V(10), one V(3), and one V(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one V(4), one V(6), and one V(9) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one V(13), one V(18), and one V(8) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one V(14), one V(18), and one V(7) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one V(11), one V(16), and one V(4) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one V(12), one V(15), and one V(3) atom. In the twenty-first O site, O(21) is bonded to one V(12), one V(15), one V(16), and one V(3) atom to form a mixture of edge and corner-sharing OV4 trigonal pyramids. In the twenty-second O site, O(22) is bonded to one V(11), one V(15), one V(16), and one V(4) atom to form a mixture of edge and corner-sharing OV4 trigonal pyramids. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one V(1), one V(10), and one V(16) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one V(15), one V(2), and one V(9) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one V(13), one V(5), and one V(7) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one V(14), one V(6), and one V(8) atom. In the twenty-ninth O site, O(29) is bonded in a distorted trigonal planar geometry to one V(14), one V(17), and one V(18) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one V(13), one V(17), and one V(18) atom. In the thirty-first O site, O(31) is bonded in a distorted trigonal planar geometry to one V(14), one V(2), and one V(9) atom. In the thirty-second O site, O(32) is bonded in a distorted trigonal planar geometry to one V(1), one V(10), and one V(13) atom. In the thirty-third O site, O(33) is bonded in a trigonal planar geometry to one V(10), one V(12), and one V(5) atom. In the thirty-fourth O site, O(34) is bonded in a trigonal planar geometry to one V(11), one V(6), and one V(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V9O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.565
_cell_length_b   7.117
_cell_length_c   14.730
_cell_angle_alpha   83.709
_cell_angle_beta   90.453
_cell_angle_gamma   71.763
_symmetry_Int_Tables_number   1
_cell_volume   550.169
_cell_formula_units_Z   2
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
  V  V0  1  0.325  0.911  0.729  1.0
  V  V1  1  0.674  0.089  0.270  1.0
  V  V2  1  0.743  0.110  0.843  1.0
  V  V3  1  0.257  0.890  0.157  1.0
  V  V4  1  0.342  0.411  0.726  1.0
  V  V5  1  0.658  0.588  0.274  1.0
  V  V6  1  0.916  0.201  0.618  1.0
  V  V7  1  0.084  0.798  0.382  1.0
  V  V8  1  0.250  0.387  0.162  1.0
  V  V9  1  0.749  0.613  0.838  1.0
  V  V10  1  0.810  0.686  0.045  1.0
  V  V11  1  0.191  0.315  0.955  1.0
  V  V12  1  0.929  0.699  0.610  1.0
  V  V13  1  0.071  0.301  0.390  1.0
  V  V14  1  0.807  0.190  0.042  1.0
  V  V15  1  0.193  0.812  0.958  1.0
  V  V16  1  0.501  1.000  0.500  1.0
  V  V17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.152  0.184  0.096  1.0
  O  O19  1  0.848  0.817  0.904  1.0
  O  O20  1  0.974  0.061  0.750  1.0
  O  O21  1  0.026  0.939  0.250  1.0
  O  O22  1  0.202  0.021  0.419  1.0
  O  O23  1  0.799  0.978  0.580  1.0
  O  O24  1  0.209  0.526  0.024  1.0
  O  O25  1  0.791  0.475  0.976  1.0
  O  O26  1  0.705  0.973  0.392  1.0
  O  O27  1  0.296  0.026  0.608  1.0
  O  O28  1  0.550  0.370  0.628  1.0
  O  O29  1  0.450  0.630  0.372  1.0
  O  O30  1  0.792  0.303  0.307  1.0
  O  O31  1  0.208  0.697  0.693  1.0
  O  O32  1  0.630  0.395  0.807  1.0
  O  O33  1  0.369  0.605  0.194  1.0
  O  O34  1  0.147  0.667  0.509  1.0
  O  O35  1  0.854  0.333  0.491  1.0
  O  O36  1  0.461  0.820  0.048  1.0
  O  O37  1  0.539  0.182  0.952  1.0
  O  O38  1  0.035  0.118  0.930  1.0
  O  O39  1  0.964  0.885  0.069  1.0
  O  O40  1  0.449  0.123  0.772  1.0
  O  O41  1  0.551  0.877  0.228  1.0
  O  O42  1  0.393  0.772  0.853  1.0
  O  O43  1  0.606  0.227  0.147  1.0
  O  O44  1  0.031  0.425  0.653  1.0
  O  O45  1  0.970  0.575  0.347  1.0
  O  O46  1  0.376  0.291  0.467  1.0
  O  O47  1  0.624  0.709  0.534  1.0
  O  O48  1  0.302  0.260  0.275  1.0
  O  O49  1  0.699  0.740  0.725  1.0
  O  O50  1  0.114  0.452  0.838  1.0
  O  O51  1  0.884  0.546  0.161  1.0
[/CIF]
.
The structure described by V9O17 crystallizes in the triclinic P1 space group. There are eighteen inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(14), one O(23), one O(25), one O(3), and one O(32) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the second V site, V(2) is bonded to one O(13), one O(24), one O(26), one O(31), one O(4), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. In the third V site, V(3) is bonded to one O(15), one O(2), one O(20), one O(21), one O(23), and one O(3) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the fourth V site, V(4) is bonded to one O(1), one O(16), one O(19), one O(22), one O(24), and one O(4) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the fifth V site, V(5) is bonded to one O(11), one O(14), one O(15), one O(23), one O(27), and one O(33) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the sixth V site, V(6) is bonded to one O(12), one O(13), one O(16), one O(24), one O(28), and one O(34) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the seventh V site, V(7) is bonded to one O(10), one O(11), one O(18), one O(27), one O(3), and one O(6) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the eighth V site, V(8) is bonded to one O(12), one O(17), one O(28), one O(4), one O(5), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the ninth V site, V(9) is bonded to one O(1), one O(16), one O(26), one O(31), one O(34), and one O(7) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-62°. In the tenth V site, V(10) is bonded to one O(15), one O(2), one O(25), one O(32), one O(33), and one O(8) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-62°. In the eleventh V site, V(11) is bonded to one O(19), one O(2), one O(22), one O(34), one O(7), and one O(8) atom to form a mixture of distorted edge, face, and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. In the twelfth V site, V(12) is bonded to one O(1), one O(20), one O(21), one O(33), one O(7), and one O(8) atom to form a mixture of distorted edge, face, and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the thirteenth V site, V(13) is bonded to one O(14), one O(17), one O(27), one O(30), one O(32), and one O(6) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fourteenth V site, V(14) is bonded to one O(13), one O(18), one O(28), one O(29), one O(31), and one O(5) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the fifteenth V site, V(15) is bonded to one O(1), one O(20), one O(21), one O(22), one O(26), and one O(8) atom to form a mixture of distorted edge, face, and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the sixteenth V site, V(16) is bonded to one O(19), one O(2), one O(21), one O(22), one O(25), and one O(7) atom to form a mixture of distorted edge, face, and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the seventeenth V site, V(17) is bonded to one O(10), one O(29), one O(30), one O(5), one O(6), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the eighteenth V site, V(18) is bonded to one O(11), one O(12), one O(17), one O(18), one O(29), and one O(30) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are thirty-four inequivalent O sites. In the first O site, O(1) is bonded to one V(12), one V(15), one V(4), and one V(9) atom to form distorted edge-sharing OV4 trigonal pyramids. In the second O site, O(2) is bonded to one V(10), one V(11), one V(16), and one V(3) atom to form distorted edge-sharing OV4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(7) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(2), one V(4), and one V(8) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(14), one V(17), and one V(8) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(13), one V(17), and one V(7) atom. In the seventh O site, O(7) is bonded to one V(11), one V(12), one V(16), and one V(9) atom to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the eighth O site, O(8) is bonded to one V(10), one V(11), one V(12), and one V(15) atom to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(17), one V(2), and one V(8) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(1), one V(17), and one V(7) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(18), one V(5), and one V(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(18), one V(6), and one V(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one V(14), one V(2), and one V(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one V(1), one V(13), and one V(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one V(10), one V(3), and one V(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one V(4), one V(6), and one V(9) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one V(13), one V(18), and one V(8) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one V(14), one V(18), and one V(7) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one V(11), one V(16), and one V(4) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one V(12), one V(15), and one V(3) atom. In the twenty-first O site, O(21) is bonded to one V(12), one V(15), one V(16), and one V(3) atom to form a mixture of edge and corner-sharing OV4 trigonal pyramids. In the twenty-second O site, O(22) is bonded to one V(11), one V(15), one V(16), and one V(4) atom to form a mixture of edge and corner-sharing OV4 trigonal pyramids. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one V(1), one V(10), and one V(16) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one V(15), one V(2), and one V(9) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one V(13), one V(5), and one V(7) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one V(14), one V(6), and one V(8) atom. In the twenty-ninth O site, O(29) is bonded in a distorted trigonal planar geometry to one V(14), one V(17), and one V(18) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one V(13), one V(17), and one V(18) atom. In the thirty-first O site, O(31) is bonded in a distorted trigonal planar geometry to one V(14), one V(2), and one V(9) atom. In the thirty-second O site, O(32) is bonded in a distorted trigonal planar geometry to one V(1), one V(10), and one V(13) atom. In the thirty-third O site, O(33) is bonded in a trigonal planar geometry to one V(10), one V(12), and one V(5) atom. In the thirty-fourth O site, O(34) is bonded in a trigonal planar geometry to one V(11), one V(6), and one V(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V9O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.565
_cell_length_b   7.117
_cell_length_c   14.730
_cell_angle_alpha   83.709
_cell_angle_beta   90.453
_cell_angle_gamma   71.763
_symmetry_Int_Tables_number   1
_cell_volume   550.169
_cell_formula_units_Z   2
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
  V  V0  1  0.325  0.911  0.729  1.0
  V  V1  1  0.674  0.089  0.270  1.0
  V  V2  1  0.743  0.110  0.843  1.0
  V  V3  1  0.257  0.890  0.157  1.0
  V  V4  1  0.342  0.411  0.726  1.0
  V  V5  1  0.658  0.588  0.274  1.0
  V  V6  1  0.916  0.201  0.618  1.0
  V  V7  1  0.084  0.798  0.382  1.0
  V  V8  1  0.250  0.387  0.162  1.0
  V  V9  1  0.749  0.613  0.838  1.0
  V  V10  1  0.810  0.686  0.045  1.0
  V  V11  1  0.191  0.315  0.955  1.0
  V  V12  1  0.929  0.699  0.610  1.0
  V  V13  1  0.071  0.301  0.390  1.0
  V  V14  1  0.807  0.190  0.042  1.0
  V  V15  1  0.193  0.812  0.958  1.0
  V  V16  1  0.501  1.000  0.500  1.0
  V  V17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.152  0.184  0.096  1.0
  O  O19  1  0.848  0.817  0.904  1.0
  O  O20  1  0.974  0.061  0.750  1.0
  O  O21  1  0.026  0.939  0.250  1.0
  O  O22  1  0.202  0.021  0.419  1.0
  O  O23  1  0.799  0.978  0.580  1.0
  O  O24  1  0.209  0.526  0.024  1.0
  O  O25  1  0.791  0.475  0.976  1.0
  O  O26  1  0.705  0.973  0.392  1.0
  O  O27  1  0.296  0.026  0.608  1.0
  O  O28  1  0.550  0.370  0.628  1.0
  O  O29  1  0.450  0.630  0.372  1.0
  O  O30  1  0.792  0.303  0.307  1.0
  O  O31  1  0.208  0.697  0.693  1.0
  O  O32  1  0.630  0.395  0.807  1.0
  O  O33  1  0.369  0.605  0.194  1.0
  O  O34  1  0.147  0.667  0.509  1.0
  O  O35  1  0.854  0.333  0.491  1.0
  O  O36  1  0.461  0.820  0.048  1.0
  O  O37  1  0.539  0.182  0.952  1.0
  O  O38  1  0.035  0.118  0.930  1.0
  O  O39  1  0.964  0.885  0.069  1.0
  O  O40  1  0.449  0.123  0.772  1.0
  O  O41  1  0.551  0.877  0.228  1.0
  O  O42  1  0.393  0.772  0.853  1.0
  O  O43  1  0.606  0.227  0.147  1.0
  O  O44  1  0.031  0.425  0.653  1.0
  O  O45  1  0.970  0.575  0.347  1.0
  O  O46  1  0.376  0.291  0.467  1.0
  O  O47  1  0.624  0.709  0.534  1.0
  O  O48  1  0.302  0.260  0.275  1.0
  O  O49  1  0.699  0.740  0.725  1.0
  O  O50  1  0.114  0.452  0.838  1.0
  O  O51  1  0.884  0.546  0.161  1.0
[/CIF]
.