Chrysoberyl
Weber S U, Grodzicki M, Lottermoser W, Redhammer G J, Tippelt G, Ponahlo J, Amthauer G
Physics and Chemistry of Minerals 34 (2007) 507-515
57Fe Mossbauer spectroscopy, X-ray single-crystal diffractometry, and
electronic structure calculations on natural alexandrite
Locality: Malyshevo near Terem Tschanka, Sverdlovsk, Ural, Russia
Note: changed O1(z) from .788822 to .78822
_database_code_amcsd 0009096
9.4082 5.4790 4.4288 90 90 90 Pnma
atom      x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
Al1       0      0       0      .00349 .00388 .00286 .00346 -.00037  .00006      0
Al2  .27282    .25 -.00503  .98 .00355 .00335 .00364 .00366       0 -.00008      0
Cr2  .27282    .25 -.00503  .02 .00355 .00335 .00364 .00366       0 -.00008      0
Be   .09289    .25   .4336      .00530  .0063  .0054  .0042       0   .0000      0
O1   .09022    .25  .78822      .00332 .00397 .00339 .00260       0 -.00010      0
O2   .43316    .25  .24167      .00370 .00366 .00387 .00365       0 -.00041      0
O3   .16324 .01554  .25728      .00401 .00425 .00392 .00387  .00030 -.00029 .00031