Fe7(AsO4)6
Weil M
Acta Crystallographica E60 (2004) i139-i141
FeII3FeIII4(AsO4)6, the first arsenate adopting the Fe7(PO4)6 structure type
_database_code_amcsd 0010440
6.5738 8.0973 9.6190 104.843 107.936 101.842 P-1
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1  .04429 .21905 .02428 .00576 .00552 .00603 .00569 .00182 .00199 .00211
Fe2  .27791 .30598 .78591 .00756 .00772 .00636 .00962 .00272 .00438 .00263
Fe3  .61854 .04663 .38694 .00539 .00512 .00577 .00541 .00156 .00213 .00206
Fe4       0     .5     .5 .00820 .00996 .00604 .00992 .00331 .00505 .00266
As1  .09889 .09851 .33515 .00456 .00419 .00505 .00442 .00184 .00152 .00145
As2  .22972 .65095 .27056 .00464 .00390 .00471 .00449 .00089 .00125 .00103
As3  .60165 .26719 .12624 .00507 .00423 .00557 .00513 .00150 .00123 .00207
O1    .0104  .6977 .15721  .0085  .0057  .0131  .0091  .0048  .0025  .0066
O2    .0672 .04996 .14577  .0077  .0117  .0067  .0048  .0029  .0028  .0027
O3    .1298 .03464 .65593  .0077  .0050  .0080  .0096  .0008  .0042  .0018
O4    .1344  .3082 .42980  .0134  .0172  .0060  .0172  .0048  .0085  .0007
O5    .2090  .4370 .19878  .0118  .0152  .0057  .0105  .0031  .0027 -.0007
O6    .2250 .70213 .45259  .0079  .0103  .0065  .0059  .0003  .0041  .0012
O7    .3220 .03165 .41751  .0067  .0046  .0096  .0071  .0038  .0018  .0042
O8    .5256 .22562 .72296  .0073  .0048  .0059  .0099 -.0003  .0036  .0012
O9    .5524  .1248 .21822  .0137  .0163  .0118  .0104 -.0002  .0013  .0076
O10   .6470  .7427 .00272  .0090  .0063  .0149  .0076  .0049  .0024  .0057
O11   .7379  .4727 .26302  .0103  .0113  .0058  .0093  .0003  .0010  .0007
O12   .7557  .2149 .02408  .0138  .0081  .0213  .0120  .0063  .0058  .0020