Thomsonite-Ca
Gatta G D, Kahlenberg V, Kaindl R, Rotiroti N, Cappelletti P, de Gennaro M
American Mineralogist 95 (2010) 495-502
Crystal structure and low-temperature behavior of "disordered" thomsonite
Locality: Terzigno, Somma-Vesuvius volcanic complex, Naples Province, Italy
T = 295.5 K
_database_code_amcsd 0005037
13.0809 13.0597 6.6051 90 90 90 Pbmn
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Na   .05755      0 .27736 .700 .0135  .0127  .0152  .0126       0   .0019       0
CaNa .05755      0 .27736 .300 .0135  .0127  .0152  .0126       0   .0019       0
Ca       .5 .02423      0 .473 .0144  .0096  .0247  .0088       0   .0015       0
AlT1 .30886 .11926 .24134   .5 .0077  .0069  .0094  .0067  .00102  .00009 -.00018
SiT1 .30886 .11926 .24134   .5 .0077  .0069  .0094  .0067  .00102  .00009 -.00018
AlT2 .11609 .19516 .00259   .5 .0077  .0080  .0076  .0075 -.00156  .00091 -.00033
SiT2 .11609 .19516 .00259   .5 .0077  .0080  .0076  .0075 -.00156  .00091 -.00033
AlT3    .25    .25 .62085   .5 .0070  .0078  .0074  .0057  -.0009       0       0
SiT3    .25    .25 .62085   .5 .0070  .0078  .0074  .0057  -.0009       0       0
O1   .35599      0  .2320      .0116  .0103  .0099  .0146       0   .0009       0
O2   .18715 .12254 .15831      .0202  .0133  .0291  .0181  -.0030   .0000  -.0022
O3        0 .13831      0      .0128  .0102  .0124  .0158       0  -.0002       0
O4   .38882 .18394 .08666      .0203  .0266  .0148  .0194   .0027  -.0018   .0016
O5   .31168 .16259 .48011      .0181  .0182  .0225  .0136   .0048   .0006   .0017
O6   .16322 .19105 .76725      .0169  .0207  .0169  .0132  -.0061   .0012  -.0007
OW1  .12651      0  .6214 .952 .0301  .0343  .0111  .0449       0  -.0140       0
OW2  .39281      0  .7218 .966 .0282  .0355  .0276  .0216       0  -.0137       0
OW3       0 .15299     .5 .912 .0300  .0227  .0279  .0395       0  -.0162       0
HW1   .1557  .0552   .678 .952  .069
HW2   .3776  .0600   .652 .966  .067
HW3   .0426  .1975   .557 .912  .081