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-1M polytype
_database_code_amcsd 0004223
27.562 5.5682 10.4662 90 98.074 90 P2/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    .65147 -.2505  .9456     .0153  .0248  .0090  .0129 -.0026  .0052 -.0003
Cu1   .76399 -.1650 .84020     .0121  .0222  .0096  .0051  .0015  .0041 -.0007
Cu2   .85745 -.1824 .02406     .0135  .0216  .0124  .0074  .0014  .0049 -.0039
Cu3   .94819 -.5359  .9187     .0132  .0258  .0069  .0073  .0035  .0041  .0002
Cu4   .76470 -.4692  .0984     .0123  .0231  .0049  .0102  .0013  .0065  .0025
Cu5    .0000  .0000  .0000     .0183  .0387  .0088  .0081  .0070  .0055  .0002
As1   .86524 -.2818 .71749     .0098  .0205  .0037  .0062  .0000  .0052 -.0003
As2   .69328 -.6964 .79980     .0119  .0238  .0042  .0085 -.0007  .0053  .0000
O1     .8339  -.294  .8477      .012   .019   .007   .012   .000   .006  -.007
O2     .8329  -.573  .0938      .016   .016   .012   .021   .002   .006   .002
O3     .9197  -.585  .2544      .015   .030   .012   .004  -.007   .007   .000
Wat4   .5928  -.423  .0623      .029   .037   .032   .021  -.010   .014  -.003
Wat5   .6363   .104  .0679      .034   .045   .016   .043   .002   .012   .007
O6     .8764  -.011  .1880      .014   .024   .003   .015   .004   .003  -.003
O7     .5876  -.095  .7893  .5  .050   .047   .078   .026   .026   .003   .014
Wat7   .5876  -.095  .7893  .5  .050   .047   .078   .026   .026   .003   .014
O8     .7032  -.326  .1443      .014   .019   .014   .011  -.001   .013  -.006
O9     .6352  -.617  .8116      .019   .030   .019   .011  -.002   .013   .000
OH10   .9807  -.697  .0700      .015   .028   .012   .006   .000   .007   .004
OH11   .9251  -.270  .0219      .016   .017   .015   .017   .002   .004  -.006
O12    .7270  -.498  .8955      .020   .040   .009   .009  -.010   .002  -.002
O13    .7023   .016  .8505      .017   .025   .007   .022   .000   .015   .002
OH14   .7496  -.210  .6559      .010   .024   .005   .002  -.002   .006   .001
Wat15  .9704  -.844  .8322      .018   .033   .009   .014  -.001   .007   .007
OH16   .7863  -.155  .0259      .012   .017   .003   .018  -.002   .004   .002
Wat17  .8715   .207   .915      .037   .040   .037   .036   .000   .010   .012
Wat18  .8060   .215   .820 .50  .014
O19    .5057  -.075   .702 .50  .062
Wat20  .4945  -.333   .018 .50  .056
O21    .5303   .068   .885 .50  .070
C1     .5417  -.050   .791 .38  .022