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 = 190 K
_database_code_amcsd 0017708
4.8308 7.6011 9.6290 90 90.176 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   .00821 .60626  .16395 .0045  .0047  .0049  .0039  .0003  .0003  .0001
B    .56919 .08924 -.15927 .0041  .0044  .0042  .0037  .0001  .0001 -.0001
Si   .46940 .26645  .08429 .0031  .0038  .0032  .0023  .0002  .0001 -.0002
O1   .24095 .40161  .03728 .0054  .0059  .0053  .0049  .0016 -.0004 -.0003
O2   .67107 .19886 -.04244 .0048  .0053  .0055  .0035 -.0005  .0006 -.0015
O3   .67594 .33462  .21057 .0046  .0051  .0060  .0028  .0000  .0001 -.0011
O4   .31449 .08821  .14588 .0051  .0058  .0037  .0059  .0001  .0018  .0006
O5   .25875 .08665 -.16356 .0055  .0041  .0076  .0047 -.0006  .0003  .0009
H      .203  .0537  -.0901  .024