H15 O46 P W12
Brown G, Noe-Spirlet M, Busing W, Levy H
Acta Crystallographica B33 (1977) 1038-1046
Dodecatungstophosphoric acid hexahydrate, (H5 O2)3 (P W12 O40),
the true structure of Keggin's 'pentahydrate' from single
crystal X-ray and neutron diffraction data
_cod_database_code 1008011
_database_code_amcsd 0015959
12.506 12.506 12.506 90 90 90 *Pn3m
.25 .25 .25
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
P1      .75    .75    .75      .0137  .0137  .0137      0      0      0
W1   .75821 .95680 .95680        .02   .017   .017   .000   .000 -.0058
O1   .82252 .82252 .82252       .018   .018   .018 -.0013 -.0013 -.0013
O2   .65617 .84383 .99326      .0163  .0163  .0192  -.006  .0003 -.0003
O3   .87223 .87223 .02398      .0199  .0199  .0175  .0047 -.0087 -.0087
O4   .73311 .05452 .05452      .0327  .0315  .0315 -.0015 -.0015 -.0158
O5      .75 .15472    .25  .5    .12  .0552  .0371      0 -.0124      0
H1   .74503 .10148   .191  .5  .0708  .0708  .0708      0      0      0
H2      .75    .25    .25      .0552  .0552  .0552      0      0      0