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