Mcalpineite
Missen O P, Mills S J, Canossa S, Hadermann J, Nénert G, Weil M, Libowitzky E,
Housley R M, Artner W, Kampf A R, Rumsey M S, Spratt J, Momma K, Dunstan M A
Acta Crystallographica B78 (2022) 20-32
Polytypism in mcalpineite: a study of natural and synthetic Cu3TeO6
Sample: ED
Locality: Synthetic
_database_code_amcsd 0021066
9.745 9.749 9.771 90 90 90 Pcca
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Te1     .5    .5    .5 .0239   .020   .024   .027  -.001   .001   .001
Te2    .75     0 .3028 .0356   .033   .033   .041  -.004      0      0
Cu1     .5     0    .5  .028   .021   .019   .043  -.001  -.002   .001
Cu2     .5 .7169   .25  .020   .023   .012   .025      0  -.005      0
Cu3    .75    .5 .2166  .021   .010   .028   .025   .012      0      0
Cu4  .2191 .7482 .5046 .0355   .014   .025   .067  -.002   .007  -.016
Cu5     .5 .2208   .25  .044   .067   .025   .040      0   .024      0
O1   .6189 .5762 .3532  .022   .018   .019   .028   .011  -.003   .007
O2   .4304 .3500 .3824  .030   .028   .019   .043  -.005   .012   .016
O3   .3546 .8778 .5641  .034   .018   .048   .035   .001   .011  -.020
O4   .3555 .6174 .4220  .023   .020   .013   .035   .004   .008   .003
O5   .4000 .8580  .140  .033   .033   .011   .056  -.003  -.008  -.001
O6    .643  .091  .169  .055   .077   .044   .042   .032   .012   .002