Tyrolite
Krivovichev S V, Chernyshov D Y, Dobelin N, Armbruster T,
Kahlenberg V, Kaindl R, Tessadri R, Kaltenhauser G
American Mineralogist 91 (2006) 1378-1384
Crystal chemistry and polytypism of tyrolite
Sample: Brixlegg, Schwaz, Tyrol, Austria
Note: Tyrolite-2M polytype
_database_code_amcsd 0004224
54.520 5.5638 10.4647 90 96.432 90 C2/c
atom       x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .17535 .7487 .1761     .0230   .035   .015   .019   .002   .004   .005
Cu1   .11904 .1677 .4955     .0158   .017   .016   .016  .0016   .006  .0028
Cu2   .07184 .8169 .1187     .0150   .019   .018   .009 -.0016  .0044 -.0042
Cu3   .02610 .5363 .4525     .0141   .024   .004   .014  .0046   .001 -.0005
Cu4   .11848 .5279 .2534     .0193   .017   .013   .027  .0005   .000   .002
Cu5        0     0     0     .0206   .032   .011   .019  -.010   .005  -.003
As1   .06791 .2812 .3060     .0123  .0157  .0067   .014 -.0006  .0008 -.0003
As2   .15438 .3027 .0029     .0181  .0194  .0092   .026  .0014  .0064 -.0006
O1     .0830  .294  .455      .012
O2     .0841  .431  .201      .017
O3     .0405  .418  .300      .009
Wat4   .2055  .581  .338      .043
Wat5   .1829  .108  .286      .043
O6     .0624  .003  .270      .018
O7     .2087  .894  .053  .5  .061
Wat7   .2087  .894  .053  .5  .061
O8     .1496  .320  .838      .014
O9     .1836  .378  .062      .028
OH10   .0092  .301  .074      .028
OH11   .0378  .274  .577      .022
O12    .1372  .500  .074      .024
O13    .1500  .011  .049      .020
OH14   .1264  .212  .323      .012
Wat15  .0148  .146  .848      .019
OH16   .1078  .844  .167      .016
Wat17  .0652  .202  .001       .10
Wat18  .0978  .797  .454      .076
Wat19   .248   .56   .10 .50   .15
Wat20   .248   .17  .150 .50   .08
Wat21   .256   .79   .06 .21  .080