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: Arendal, Norway
_database_code_amcsd 0017704
4.8356 7.6114 9.6341 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  .16393 .0064  .0064  .0073  .0056  .0005  .0003  .0000
B    .56794 .08929 -.15911 .0051  .0055  .0056  .0042 -.0002  .0003  .0004
Si   .46891 .26615  .08439 .0044  .0050  .0047  .0034  .0004 -.0002 -.0003
O1   .24076 .40091  .03742 .0078  .0084  .0080  .0069  .0026 -.0010 -.0003
O2   .67004 .19900 -.04251 .0063  .0066  .0073  .0050 -.0015  .0007 -.0019
O3   .67495 .33449  .21045 .0062  .0062  .0083  .0039 -.0001 -.0001 -.0017
O4   .31495 .08789  .14598 .0071  .0075  .0053  .0084  .0004  .0023  .0007
O5   .25883 .08650 -.16350 .0074  .0054  .0104  .0065 -.0007  .0002  .0008
H      .213   .047  -.0930  .030