Datolite
Rinaldi R, Gatta G D, Angel R J
American Mineralogist 95 (2010) 1413-1421
Crystal chemistry and low-temperature behavior of datolite:
a single-crystal X-ray diffraction study
Locality: Valmozzola, Parma, Italy
Note: T = 250 K
_database_code_amcsd 0017706
4.8330 7.6074 9.6310 90 90.175 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   .00835 .60620  .16389 .0056  .0060  .0061  .0047  .0004  .0005  .0001
B    .56831 .08931 -.15912 .0047  .0053  .0053  .0036  .0004  .0004  .0001
Si   .46911 .26634  .08435 .0038  .0047  .0038  .0029  .0003  .0002 -.0001
O1   .24073 .40130  .03729 .0065  .0070  .0066  .0060  .0019 -.0006 -.0003
O2   .67008 .19905 -.04246 .0058  .0064  .0066  .0043 -.0010  .0007 -.0017
O3   .67541 .33463  .21049 .0056  .0059  .0076  .0032  .0003  .0007 -.0013
O4   .31504 .08798  .14594 .0062  .0071  .0045  .0070  .0002  .0025  .0008
O5   .25889 .08654 -.16348 .0065  .0048  .0091  .0055 -.0010  .0006  .0010
H      .207   .050   -.092  .035