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Natrolite |
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Baur W H, Kassner D, Kim C, Sieber N H W |
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European Journal of Mineralogy 2 (1990) 761-769 |
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Flexibility and distortion of the framework of natrolite: crystal |
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structures of ion-exchanged natrolites |
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Sample: Li-natrolite, LI |
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_database_code_amcsd 0006391 |
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17.678 18.509 6.488 90 90 90 Fdd2 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Li .2192 .5376 .1222 .83 .0650 .0690 .0320 -.0070 -.0100 -.0140 |
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Na .2192 .5376 .1222 .17 .0650 .0690 .0320 -.0070 -.0100 -.0140 |
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Si1 0 0 0 .0400 .0170 .0020 .0040 0 0 |
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Si2 .1487 .2147 .6217 .0410 .0150 .0030 .0030 -.0020 -.0020 |
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Al .2139 .3431 .8656 .0430 .0130 .0030 .0000 .0000 .0020 |
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O1 .0122 .073 .8672 .0480 .0160 .0120 -.0010 .0130 .0040 |
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O2 .1851 .4319 .8516 .0420 .0210 .0040 .0000 -.0020 -.0010 |
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O3 .1452 .2838 .7723 .0510 .0180 .0050 -.0030 .0000 -.0060 |
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O4 .2927 .3451 .7050 .0490 .0220 .0080 .0050 .0100 .0030 |
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O5 .9260 .0095 .1406 .0400 .0280 .0140 -.0040 .0010 -.0040 |
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OW .2079 .4497 .3619 .0610 .0310 .0300 -.0010 .0180 .0000 |
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H1 .035 .159 .125 .0240 |
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H2 .086 .198 .166 .0190 |
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Natrolite |
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Baur W H, Kassner D, Kim C, Sieber N H W |
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European Journal of Mineralogy 2 (1990) 761-769 |
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Flexibility and distortion of the framework of natrolite: crystal |
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structures of ion-exchanged natrolites |
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Sample: natrolite, NA |
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_database_code_amcsd 0006392 |
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18.307 18.623 6.5872 90 90 90 Fdd2 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na .2207 .5307 .1180 .0203 .0205 .0204 -.0030 .0027 -.0001 |
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Al .2124 .3438 .8657 .0083 .0081 .0090 .0008 .0014 -.0006 |
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Si1 0 0 0 .0135 .0111 .0084 -.0006 0 0 |
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Si2 .1535 .2113 .6234 .0087 .0107 .0079 -.0012 .0003 -.0007 |
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O1 .0226 .0682 .8656 .0214 .0152 .0108 -.0023 -.0006 -.0025 |
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O2 .1794 .4313 .8613 .0135 .0129 .0089 -.0007 .0006 -.0028 |
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O3 .1520 .2852 .7517 .0127 .0181 .0165 -.0015 -.0029 -.0078 |
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O4 .2929 .3472 .7256 .0147 .0207 .0139 .0014 .0048 .0018 |
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O5 .9307 .0226 .1393 .0142 .0223 .0104 .0035 .0036 -.0007 |
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OW .1934 .4395 .3620 .0271 |
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H1 .051 .138 .033 .1270 |
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H2 .094 .196 .160 .0930 |
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Natrolite |
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Baur W H, Kassner D, Kim C, Sieber N H W |
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European Journal of Mineralogy 2 (1990) 761-769 |
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Flexibility and distortion of the framework of natrolite: crystal |
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structures of ion-exchanged natrolites |
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Sample: K-natrolite, KK |
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_database_code_amcsd 0006393 |
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19.27 19.66 6.469 90 90 90 Fdd2 |
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atom x y z |
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K .2185 .5310 .121 |
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Al .2023 .3359 .859 |
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Si1 0 0 0 |
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Si2 .1614 .2028 .620 |
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O1 .0418 .0541 .859 |
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O2 .1633 .4155 .860 |
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O3 .1541 .2789 .713 |
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O4 .2859 .3416 .761 |
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O5 .9447 .0409 .141 |
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Wat .1743 .4241 .370 |
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Baratovite |
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Baur W H, Kassner D |
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European Journal of Mineralogy 4 (1992) 839-841 |
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Katayamalite and baratovite are structurally identical |
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_database_code_amcsd 0006461 |
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16.923 9.721 20.909 90 112.40 90 C2/c |
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atom x y z |
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K 0 .07100 .25000 |
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Li1 .50000 .08350 .25000 |
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Li2 .24625 .31675 .24850 |
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Ca1 .22050 -.07250 .51300 |
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Ca2 .14550 .28350 .50700 |
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Ca3 .07200 .63900 .50000 |
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Ca4 0 0 0 |
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Ti .33500 .07050 .25200 |
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Si1 .61400 .26500 .36000 |
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Si2 .43100 .32350 .36000 |
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Si3 .36850 .63500 .35900 |
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Si4 .49100 .88000 .36000 |
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Si5 .67350 .81550 .35900 |
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Si6 .73900 .50800 .36200 |
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O1 .65850 .40350 .34500 |
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O2 .65900 .22350 .44100 |
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O3 .61250 .14350 .30800 |
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O4 .51525 .30975 .34050 |
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O5 .35350 .23900 .30600 |
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O6 .45200 .28300 .43900 |
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O7 .41025 .48775 .35050 |
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O8 .27350 .65300 .30400 |
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O9 .37850 .65150 .43800 |
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O10 .42675 .74875 .34050 |
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O11 .52125 .91975 .44150 |
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O12 .44850 .00450 .30900 |
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O13 .57250 .82050 .34500 |
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O14 .72800 .85450 .43800 |
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O15 .69500 .90700 .30400 |
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O16 .69250 .65750 .34500 |
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O17 .78550 .47600 .31000 |
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O18 .80050 .49850 .44200 |
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F .10100 .06850 .45700 |
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Natrolite-NH4 exchanged |
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Stuckenschmidt E, Kassner D, Joswig W, Baur W H |
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European Journal of Mineralogy 4 (1992) 1229-1240 |
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Flexibility and distortion of the collapsible framework |
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of NAT topology: the crystal structure of NH4-exchanged natrolite |
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_database_code_amcsd 0006462 |
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17.899 18.390 6.529 90 90 90.0 C2_1 |
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atom x y z Uiso |
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Si11 .49966 .49286 .0007 .0088 |
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Si13 .25710 .75007 .7496 .0103 |
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Si21 .34558 .28565 .6255 .0081 |
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Si22 .64876 .71517 .6245 .0077 |
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Si23 .40258 .53316 .3731 .0084 |
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Si24 .09972 .96398 .3742 .0092 |
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Al11 .46489 .40239 .6169 .0081 |
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Al12 .53541 .59234 .6170 .0082 |
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Al13 .28664 .65342 .3645 .0086 |
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Al14 .21584 .84406 .3653 .0086 |
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O11 .5116 .5629 .8579 .0152 |
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O12 .4839 .4191 .8726 .0142 |
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O13 .2687 .6772 .6196 .0179 |
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O14 .2409 .8211 .6146 .0187 |
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O21 .4297 .3147 .5870 .0112 |
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O22 .5652 .6820 .6280 .0102 |
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O23 .3184 .5635 .3569 .0120 |
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O24 .1843 .9335 .3604 .0120 |
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O31 .4015 .4655 .5275 .0170 |
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O32 .6022 .5382 .5054 .0185 |
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O33 .6496 .7872 .7583 .0162 |
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O34 .3505 .2179 .7805 .0131 |
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O41 .2955 .3487 .7227 .0163 |
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O42 .7072 .6561 .7049 .0163 |
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O43 .4604 .5948 .4480 .0125 |
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O44 .5439 .4052 .4688 .0176 |
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O51 .3132 .2613 .3998 .0159 |
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O52 .6674 .7334 .3803 .0142 |
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O53 .5748 .4829 .1414 .0190 |
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O54 .4264 .5064 .1476 .0170 |
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N1 .4474 .2852 .0900 .0203 |
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H11 .425 .287 .224 .0203 |
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H12 .454 .3353 .054 .0203 |
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H13 .495 .264 .091 .0203 |
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H14 .415 .261 .001 .0203 |
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N2 .4741 .8104 .6512 .0204 |
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H21 .509 .837 .740 .0204 |
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H22 .454 .840 .547 .0204 |
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H23 .429 .789 .719 .0204 |
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H24 .495 .771 .583 .0204 |
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N3 .7208 .4438 .8947 .0301 |
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H31 .731 .410 .786 .0301 |
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H32 .725 .422 1.027 .0301 |
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H33 .752 .486 .886 .0301 |
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H34 .671 .461 .863 .0301 |
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N4 .2940 .5437 .8640 .0380 |
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H41 .277 .576 .762 .0380 |
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H42 .334 .516 .817 .0380 |
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H43 .309 .571 .978 .0380 |
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H44 .252 .514 .909 .0380 |
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|
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