Datolite
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R
American Mineralogist 89 (2004) 767-776
The atomic structure of bakerite and its relationship to datolite
Sample: #45837, single crystal data
_database_code_amcsd 0003540
4.850 7.627 9.659 90 90.255 90 P2_1/c
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .9916 .1066 .3357 .012   .011   .012   .013   .000   .001   .000
Si   .4692 .2657 .0846 .011   .011   .011   .011   .000   .001  -.001
B    .5692 .4107 .3417 .010   .008   .011   .012   .001  -.001  -.002
O1   .2430 .4011 .0374 .013   .013   .013   .014   .002  -.001  -.001
O2   .6707 .3006 .4581 .011   .008   .014   .013   .001   .000   .001
O3   .6755 .3335 .2107 .012   .010   .014   .012   .000  -.001  -.001
O4   .3148 .0877 .1462 .011   .010   .010   .015  -.001   .003   .001
O5   .2587 .4130 .3356 .012   .010   .015   .012   .002   .001  -.002
H     .234  .455  .401 .020