Jonesite
Krivovichev S V, Armbruster T
American Mineralogist 89 (2004) 314-318
The crystal structure of jonesite, Ba2(K,Na)[Ti2(Si5Al)O18(H2O)](H2O)n:
A first example of titanosilicate with porous double layers
Locality: Benitoite mine, New Idria District, San Benito Co., California, USA
_database_code_amcsd 0003405
10.618 25.918 8.6945 90 127.633 90 P2_1/m
atom       x       y       z  occ   Uiso
Ba1   .49799 .517595  .24430      .01207
Ba2   .00154  .47576 -.24868      .01449
K1     .2822   .2500  -.2510  .70   .049
Na1    .2822   .2500  -.2510  .30   .049
K2     .7146   .2500   .7472  .50   .027
Na2    .7146   .2500   .7472  .10   .027
K3     .7884   .2500   .7294  .40   .147
Ti1    .2682  .57478  -.2123       .0121
Ti2    .2604  .43091   .2752       .0128
Si1    .8767  .60395   .4844       .0107
Si2    .3469  .38986  -.0279       .0146
Si3   -.1248  .38956  -.0289       .0085
Si4    .6392  .39499   .5151       .0110
Si5    .3978  .31321   .2522 .395  .0127
Al5    .3978  .31321   .2522 .395  .0127
Si6    .1075  .31288   .2618 .395  .0082
Al6    .1075  .31288   .2618 .395  .0082
Si5A   .6085   .3115   .2516 .105   .010
Al5A   .6085   .3115   .2516 .105   .010
Si6A  -.1106   .3130   .2263 .105   .010
Al6A  -.1106   .3130   .2263 .105   .010
O1     .0389   .5708   .5886       .0190
O2     .7016   .4275   .4129       .0170
O3     .1938   .3924  -.2584       .0185
O4     .7971   .3896   .7423        .021
O5     .2928   .4247   .0767       .0140
O6     .2639   .3382   .2754  .75  .0204
Wat6   .2639   .3382   .2754  .25  .0204
Wat7   .7684   .3346   .2853  .79   .028
O7A    .7375   .3350   .2119  .21   .010
O8     .5782   .3377   .4279  .79  .0060
O8A    .6326   .3306   .4396  .21   .010
O9     .9123   .6623   .5668       .0260
O10    .0265   .4274   .0767       .0163
O11    .2874   .5099  -.1701       .0212
O12    .5023   .4084   .0088       .0210
O13   -.2466   .4081   .0079        .033
O14    .3521   .3286   .0357  .79   .018
O14A   .4339   .3349   .0531  .21   .010
O15   -.0603   .3296   .0429  .79   .011
O15A  -.0970   .3352   .0616  .21   .010
O16    .4929   .4239   .4839       .0201
O17    .7585   .5739   .5114        .023
O18    .2568   .4970   .2743       .0278
O19    .4074   .2500   .2796  .79   .013
O19A   .5727   .2500   .1993  .21   .010
O20    .1147   .2500   .2868  .79   .023
O20A  -.0981   .2500   .2655  .21   .010
Wat21  .4920   .3247  -.2570  .72   .043
Wat22  .5011   .2500  -.2472  .26   .040
Wat23  .6266   .2500   .0420  .40   .040
Wat24  .9570   .2820   .7019  .28   .040
Wat25  .7256   .2500  -.0068  .36   .066