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 = 130 K
_database_code_amcsd 0017710
4.8298 7.6002 9.6321 90 90.183 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 .60628  .16398 .0035  .0037  .0039  .0030  .0002  .0003  .0001
B    .56930 .08934 -.15908 .0035  .0036  .0041  .0029 -.0001  .0002  .0000
Si   .46966 .26660  .08426 .0026  .0030  .0027  .0021  .0001  .0002 -.0001
O1   .24102 .40192  .03711 .0043  .0045  .0042  .0043  .0011 -.0004 -.0002
O2   .67129 .19890 -.04238 .0040  .0043  .0045  .0032 -.0002  .0005 -.0009
O3   .67642 .33458  .21062 .0038  .0042  .0048  .0025  .0001  .0003 -.0009
O4   .31455 .08837  .14577 .0042  .0046  .0031  .0048  .0001  .0013  .0004
O5   .25886 .08678 -.16344 .0046  .0033  .0063  .0041 -.0005  .0007  .0009
H      .203  .0514  -.0883  .025