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