Giuseppettite Bonaccorsi E Microporous and Mesoporous Materials 73 (2004) 129-136 The crystal structure of giuseppettite, the 16-layer member of the cancrinite- sodalite group Locality: Sacrofano, Biachella Valley, Latium, Italy _database_code_amcsd 0014409 12.856 12.856 42.256 90 90 120 P31c atom x y z occ Uiso NaK1 .1150 -.1158 .1072 .261 .045 K1 .1150 -.1158 .1072 .739 .045 K2 .7709 .8844 .2287 .047 K3 -.7695 -.8851 -.1503 .953 .066 NaK3 -.7695 -.8851 -.1503 .047 .066 Ca1 0 0 -.0187 .280 .024 Na1 0 0 -.0187 .148 .024 Ca1b 0 0 -.0340 .375 .024 Na1b 0 0 -.0340 .197 .024 Na1 -.3104 -.1545 .5433 .037 Na2 .8475 .6912 .1679 .037 Na3 .8490 .6906 -.7082 .034 Na4 .3160 .159 -.5865 .209 .044 Ca4 .3160 .159 -.5865 .425 .044 Na4b .3970 .203 -.5778 .120 .044 Ca4b .3970 .203 -.5778 .245 .044 Na5 2/3 1/3 .2198 .5 .037 Na5b 2/3 1/3 .2095 .5 .037 Na6 2/3 1/3 .0852 .072 Na7 1/3 2/3 .8682 .5 .028 Na7b 1/3 2/3 .8473 .5 .028 Na8 2/3 1/3 .7766 .050 Na9 2/3 1/3 -.0616 .6 .036 Na9b 2/3 1/3 -.0920 .4 .036 Na10 1/3 2/3 .1487 .6 .042 Na10b 1/3 2/3 .1575 .4 .042 Na11 .498 .506 .9762 .5 .024 Na11b .536 .464 .9841 .5 .024 Na12 1/3 2/3 .0234 .6 .038 Na12b 1/3 2/3 .0066 .4 .038 Si1 .2527 .0010 -.0229 .016 Si2 .4149 .0846 -.7732 .015 Si3 -.5829 -.6642 -.0856 .017 Si4 -.5851 -.6673 .5398 .017 Si5 .4135 .0856 .1025 .019 Si6 .4145 .0836 -.6484 .019 Si7 -.5862 -.6676 -.2103 .016 Si8 -.5860 -.6678 .6647 .016 Al1 -.2528 .0005 -.0229 .021 Al2 -.4157 -.0745 .7268 .021 Al3 .5842 .6656 .0408 .022 Al4 .5876 .6699 -.5854 .022 Al5 -.4164 -.0756 -.1482 .017 Al6 -.4176 -.0751 .6025 .017 Al7 .5849 .6621 .1653 .019 Al8 .5857 .6623 -.7103 .019 O1 .4058 .2077 .2217 .036 O2 .4342 .5526 .1623 .031 O3 -.4472 -.5663 -.2123 .031 O4 .341 -.013 .0756 .042 O5 -.353 -.011 -.1133 .041 O6 -.344 .012 .5711 .041 O7 .357 .033 -.6118 .042 O8 .453 .539 .0323 .054 O9 -.448 -.551 -.0811 .054 O10 .553 .1213 .1025 .031 O11 -.5711 -.1257 -.1499 .031 O12 .1264 -.1163 -.0310 .044 O13 -.115 .111 -.0204 .044 O14 .4012 .2030 .0985 .044 O15 -.4089 -.2039 -.1506 .044 O16 .557 .1241 .2261 .036 O17 .303 -.011 .0131 .048 O18 -.322 .013 -.0536 .052 O19 -.314 .011 .5113 .052 O20 .335 -.021 -.5472 .048 O21 .5969 .7996 .1629 .048 O22 .4065 .2054 .7874 .048 O23 .677 .644 .1377 .048 O24 -.652 -.664 -.1784 .043 O25 -.662 -.651 .6371 .043 O26 .653 .670 -.6729 .048 O27 .645 .663 .2019 .034 O28 -.661 -.658 -.2387 .055 O29 -.650 -.661 .6964 .055 O30 .676 .642 -.7374 .034 O31 .562 .7837 .0420 .064 O32 -.569 -.780 -.0912 .064 S1 0 0 .0557 .065 OA1 0 0 .0245 .101 OB1 -.058 -.122 .0669 .083 S2 0 0 .6684 .057 OA2 .034 .084 .641 1/3 .07 OB2 -.117 -.058 .6780 .127 S3 0 0 -.7118 .064 OA3 .955 .879 -.6953 .056 OB3 .110 .048 -.7361 1/3 .082 S4 0 0 -.1013 .058 OA4 .079 .067 -.071 1/3 .14 OB4 .076 .129 -.1161 .17 Cl5 .628 .333 .0064 1/6 .11 S5 2/3 1/3 .024 .5 .14 OA5 .604 .278 -.009 1/6 .01 OB5 .531 .265 .0301 .5 .027 Cl6 1/3 2/3 -.076 .5 .18 S6 1/3 2/3 -.057 .5 .091 OA6 .398 .786 -.0341 1/6 .07 OB6 .271 .541 -.072 .5 .11 Wat1 2/3 1/3 -.147 .49 .10 Wat2 1/3 2/3 .103 .49 .10 Wat3 2/3 1/3 -.278 .49 .10 Wat4 2/3 1/3 .293 .49 .10 Wat5 1/3 2/3 -.339 .49 .10