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: Sasso Puzzino, Modena, Italy
_database_code_amcsd 0017702
4.8336 7.6076 9.6298 90 90.165 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   .00828 .60620  .16386 .0062  .0058  .0066  .0062  .0005  .0000 -.0001
B     .5686  .0894 -.15918 .0053  .0047  .0056  .0057  .0002 -.0004  .0002
Si   .46889 .26612  .08436 .0041  .0040  .0040  .0042  .0005 -.0004 -.0004
O1    .2400 .40078  .03753 .0071  .0069  .0070  .0075  .0031 -.0013  .0001
O2    .6697 .19901 -.04245 .0060  .0056  .0071  .0054 -.0010  .0004 -.0022
O3    .6754 .33464  .21044 .0060  .0054  .0079  .0047  .0002 -.0005 -.0022
O4    .3153 .08795  .14589 .0071  .0069  .0039  .0104 -.0002  .0021  .0010
O5    .2586 .08613 -.16341 .0073  .0047  .0097  .0074 -.0010  .0002  .0006
H      .205   .051   -.094  .037