Cornwallite
Arlt T, Armbruster T
Neues Jahrbuch fur Mineralogie, Monatshefte 1999 (1999) 468-480
Single-crystal X-ray structure refinement of cornwallite, Cu5(AsO4)2(OH)4:
A comparison with its polymorph cornubite and the (PO4)-analogue pseudomalachite
Locality: Clara mine, Oberwolfach, Black Forest, Germany
Note: Biso for O2 and O4 switched to match calculated values
_database_code_amcsd 0014901
4.600 5.757 17.380 90 91.87 90 P2_1/c
atom      x      y      z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1       0      0      0     1.12  .0134  .0123  .0171  .0010  .0036  .0029
Cu2  .95409 .01993 .41501     1.00  .0138  .0149  .0092  .0049 -.0014  .0007
Cu3  .00471 .18503 .24666      .92  .0140  .0071  .0134 -.0016 -.0064  .0015
As   .47804 .41593 .36777  .9  .72  .0075  .0102  .0096  .0003 -.0017 -.0004
P    .47804 .41593 .36777  .1  .72  .0075  .0102  .0096  .0003 -.0017 -.0004
O1    .2843  .3372  .4436     1.11   .013   .015   .015  -.001   .006   .000
O2    .6881  .1869  .3485     1.16   .015   .016   .014   .007   .002  -.001
O3    .2476  .4344  .2899      .91   .013   .005   .016  -.001  -.007  -.001
O4    .6692  .6566  .3791      1.8   .021   .017   .030  -.008  -.002   .000
O5    .8292  .3200  .0127     1.04   .010   .013   .016  -.002   .001   .000
O6    .1551  .9367  .3167      .79   .010   .008   .011   .002  -.004   .001
H5     .637   .297   .015     3.95
H6     .349   .924   .323     3.95