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Thomsonite-Ca |
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Gatta G D, Kahlenberg V, Kaindl R, Rotiroti N, Cappelletti P, de Gennaro M |
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American Mineralogist 95 (2010) 495-502 |
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Crystal structure and low-temperature behavior of "disordered" thomsonite |
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Locality: Terzigno, Somma-Vesuvius volcanic complex, Naples Province, Italy |
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T = 98.0 K |
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_database_code_amcsd 0005038 |
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13.0603 13.0456 6.5981 90 90 90 Pbmn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na .05752 0 .27934 .676 .0066 .0069 .0073 .0056 0 .0010 0 |
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CaNa .05752 0 .27934 .324 .0066 .0069 .0073 .0056 0 .0010 0 |
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Ca .5 .02656 0 .474 .0059 .0048 .0096 .0034 0 .0004 0 |
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AlT1 .30955 .11932 .24222 .5 .0053 .0048 .0071 .0041 .00086 -.00012 -.00046 |
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SiT1 .30955 .11932 .24222 .5 .0053 .0048 .0071 .0041 .00086 -.00012 -.00046 |
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AlT2 .11617 .19432 .00348 .5 .0049 .0058 .0045 .0044 -.00081 .00119 -.00049 |
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SiT2 .11617 .19432 .00348 .5 .0049 .0058 .0045 .0044 -.00081 .00119 -.00049 |
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AlT3 .25 .25 .62166 .5 .0043 .0049 .0042 .0037 -.0006 0 0 |
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SiT3 .25 .25 .62166 .5 .0043 .0049 .0042 .0037 -.0006 0 0 |
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O1 .35713 0 .23256 .0076 .0064 .0080 .0085 0 .0006 0 |
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O2 .18719 .12228 .16066 .0144 .0109 .0206 .0116 -.0034 .0021 -.0041 |
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O3 0 .13719 0 .0096 .0077 .0101 .0110 0 -.0001 0 |
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O4 .38882 .18421 .08607 .0147 .0211 .0106 .0126 .0030 -.0035 -.0011 |
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O5 .31316 .16315 .48127 .0114 .0105 .0146 .0094 .0015 .0001 .0035 |
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O6 .16354 .18953 .76774 .0109 .0145 .0100 .0083 -.0030 -.0005 -.0012 |
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OW1 .12617 0 .6206 .947 .0161 .0183 .005 .0249 0 -.0079 0 |
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OW2 .39103 0 .7239 .979 .0124 .0153 .0121 .0098 0 -.0050 0 |
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OW3 0 .15273 .5 .923 .0170 .0135 .0118 .0257 0 -.0124 0 |
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HW1 .1551 .0571 .677 .947 .047 |
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HW2 .3736 .0561 .653 .979 .040 |
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HW3 .0396 .1951 .561 .923 .042 |
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