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: Cinghi, Boccassuolo-Modena, Italy
_database_code_amcsd 0017703
4.8361 7.6155 9.6392 90 90.134 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   .00838 .60613  .16386 .0070  .0073  .0071  .0066  .0004  .0004  .0000
B     .5685 .08943 -.15906 .0059  .0067  .0061  .0049  .0000  .0004  .0004
Si   .46897 .26613  .08442 .0048  .0057  .0044  .0045  .0003  .0000 -.0002
O1   .24048 .40086  .03762 .0081  .0090  .0075  .0079  .0025 -.0011 -.0003
O2   .67002 .19910 -.04259 .0070  .0074  .0077  .0058 -.0013  .0012 -.0021
O3   .67496 .33448  .21036 .0069  .0073  .0084  .0051  .0001 -.0004 -.0015
O4   .31472 .08787  .14591 .0077  .0083  .0049  .0100  .0001  .0024  .0010
O5   .25896 .08649 -.16333 .0079  .0061  .0102  .0075 -.0006  .0008  .0009
H      .214   .048   -.094  .032