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
_database_code_amcsd 0017699
4.8354 7.6082 9.6335 90 90.158 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   .00832 .60617  .16388 .0064  .0068  .0071  .0055  .0005  .0004  .0000
B    .56839 .08950 -.15909 .0051  .0053  .0059  .0042  .0002  .0007  .0003
Si   .46883 .26615  .08438 .0043  .0052  .0042  .0034  .0003  .0000 -.0002
O1   .24051 .40104  .03745 .0074  .0083  .0071  .0068  .0024 -.0008 -.0001
O2   .66987 .19903 -.04273 .0063  .0071  .0070  .0049 -.0010  .0009 -.0019
O3   .67508 .33472  .21044 .0062  .0064  .0084  .0039  .0003  .0003 -.0016
O4   .31509 .08787  .14600 .0070  .0080  .0043  .0086  .0003  .0024  .0008
O5   .25854 .08652 -.16342 .0074  .0055  .0103  .0063 -.0007  .0004  .0009
H      .207  .0523  -.0879  .029