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Parasterryite |
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Moelo Y, Guillot-Deudon C, Evain M, Orlandi P, Biagioni C |
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Acta Crystallographica B68 (2012) 480-492 |
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Comparative modular analysis of two complex sulfosalt structures: sterryite, |
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Cu(Ag,Cu)3Pb19-(Sb,As)22(As-As)S56, and parasterryite, Ag4Pb20(Sb,As)24S58 |
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Locality: Pollone mine, Tuscany, Italy |
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_database_code_amcsd 0019483 |
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8.3965 27.954 43.884 90 90.061 90 P2_1/c |
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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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Pb1 .36763 .36216 .18873 .0223 .0238 .0237 .0194 .0013 .0021 .0004 |
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Pb2 .87463 .36391 .18918 .0242 .0275 .0248 .0203 -.0005 .0044 .0006 |
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Pb3 .36370 .29977 .09552 .0239 .0245 .0213 .0261 -.0004 .0036 -.0048 |
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Pb4 .86185 .29243 .10178 .0243 .0283 .0211 .0233 .0012 .0003 -.0024 |
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Pb5 .35693 .45226 .10872 .0250 .0261 .0225 .0265 -.0014 .0037 .0030 |
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Pb6 .85479 .45238 .10944 .0256 .0273 .0205 .0288 .0005 .0021 .0033 |
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Ag7 .3362 .58389 .10610 .0555 .0449 .0421 .080 -.0317 .0088 -.0074 |
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Pb8 .81865 .59875 .11581 .0323 .0338 .0228 .0403 -.0028 -.0014 .0096 |
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As9 .6226 .49315 .18644 .0159 .0154 .0151 .0171 .0010 .0030 -.0006 |
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Sb10 .1312 .49109 .19319 .0210 .0290 .0158 .0181 .0008 .0015 -.0019 |
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Sb11 .3725 .90657 .23240 .12 .0173 .0123 .0238 .0157 .0011 .0012 -.0001 |
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As11 .3725 .90657 .23240 .88 .0173 .0123 .0238 .0157 .0011 .0012 -.0001 |
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Sb12 .8665 .91492 .23679 .87 .0203 .0254 .0153 .0203 -.0007 .0023 .0029 |
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As12 .8665 .91492 .23679 .13 .0203 .0254 .0153 .0203 -.0007 .0023 .0029 |
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Pb13 .61281 .78747 .22624 .0293 .0302 .0264 .0312 .0003 .0105 .0028 |
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Pb14 .13196 .78428 .22712 .0250 .0256 .0266 .0230 -.0007 -.0027 .0000 |
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Sb15 .5937 .22519 .16976 .91 .0191 .0247 .0146 .0182 -.0004 -.0003 .0007 |
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As15 .5937 .22519 .16976 .09 .0191 .0247 .0146 .0182 -.0004 -.0003 .0007 |
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As16 .1231 .23186 .17065 .0163 .0172 .0144 .0175 -.0006 .0017 .0007 |
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Sb17 .6199 .16758 .09448 .43 .0210 .0180 .0239 .0212 .0001 .0039 .0037 |
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As17 .6199 .16758 .09448 .57 .0210 .0180 .0239 .0212 .0001 .0039 .0037 |
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Sb18 .1139 .15868 .08751 .0215 .0161 .0161 .0323 -.0010 .0008 .0002 |
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Sb19 .6161 .07517 .00797 .8 .0168 .0166 .0176 .0160 -.0021 .0017 .0012 |
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As19 .6161 .07517 .00797 .2 .0168 .0166 .0176 .0160 -.0021 .0017 .0012 |
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Pb20 .1146 .08099 .01537 .46 .0319 .0249 .0453 .0256 .0033 .0036 .0110 |
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Sb20 .1146 .08099 .01537 .54 .0319 .0249 .0453 .0256 .0033 .0036 .0110 |
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Pb21 .38579 .00515 .06394 .0222 .0238 .0180 .0248 .0005 .0016 .0021 |
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Sb22 .8772 .00802 .07129 .78 .0177 .0171 .0175 .0187 -.0012 .0037 .0018 |
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As22 .8772 .00802 .07129 .22 .0177 .0171 .0175 .0187 -.0012 .0037 .0018 |
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Sb23 .3700 .07949 .15271 .82 .0186 .0166 .0184 .0209 -.0014 .0030 -.0026 |
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As23 .3700 .07949 .15271 .18 .0186 .0166 .0184 .0209 -.0014 .0030 -.0026 |
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Pb24 .88296 .08179 .14700 .0230 .0249 .0183 .0258 .0014 .0023 .0005 |
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Ag25 .3523 .16014 .23146 .0351 .0497 .0209 .0347 .0000 .0020 .0079 |
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Sb26 .8696 .16689 .22674 .7 .0208 .0229 .0237 .0156 .0023 .0047 .0011 |
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As26 .8696 .16689 .22674 .3 .0208 .0229 .0237 .0156 .0023 .0047 .0011 |
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Pb27 .39721 .61845 .19934 .0276 .0262 .0308 .0258 .0014 .0009 .0021 |
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Sb28 .8947 .61462 .20042 .6 .0210 .0188 .0270 .0174 -.0015 .0004 .0035 |
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As28 .8947 .61462 .20042 .4 .0210 .0188 .0270 .0174 -.0015 .0004 .0035 |
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Sb29 .6118 .03729 .22421 .0211 .0201 .0234 .0199 -.0023 .0001 -.0010 |
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Pb30 .11604 .02959 .22269 .0251 .0268 .0238 .0247 -.0029 .0018 .0027 |
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Pb31 .62627 .94878 .14183 .0233 .0212 .0215 .0271 .0024 .0002 -.0021 |
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Pb32 .11873 .95038 .14272 .0227 .0210 .0191 .0279 -.0007 .0018 -.0030 |
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Pb33a .62472 .86693 .06450 .0248 .0229 .0267 .0248 .0024 -.0004 -.0059 |
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Pb34a .14489 .87105 .06308 .0233 .0231 .0241 .0227 -.0045 .0040 -.0021 |
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Pb35 .35797 .21290 .01550 .0273 .0274 .0254 .0291 .0028 .0029 -.0013 |
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Pb36 .86164 .21330 .01791 .0237 .0232 .0261 .0218 -.0039 .0022 .0002 |
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As37 .5987 .38671 .03818 .95 .0162 .0145 .0182 .0159 -.0006 .0034 -.0020 |
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Sb37 .5987 .38671 .03818 .05 .0162 .0145 .0182 .0159 -.0006 .0034 -.0020 |
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Sb38 .1380 .39220 .03406 .9 .0207 .0253 .0193 .0175 -.0057 .0013 .0000 |
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As38 .1380 .39220 .03406 .1 .0207 .0253 .0193 .0175 -.0057 .0013 .0000 |
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Sb39 .6318 .52810 .03770 .57 .0220 .0179 .0229 .0251 -.0022 .0020 .0077 |
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As39 .6318 .52810 .03770 .43 .0220 .0179 .0229 .0251 -.0022 .0020 .0077 |
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Sb40 .0989 .52584 .04232 .87 .0201 .0200 .0201 .0202 -.0037 .0025 .0009 |
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As40 .0989 .52584 .04232 .13 .0201 .0200 .0201 .0202 -.0037 .0025 .0009 |
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Sb41 .5784 .66010 .04420 .0215 .0203 .0162 .0281 -.0026 -.0015 .0012 |
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As42 .1522 .66143 .02030 .0173 .0144 .0173 .0203 .0000 .0025 -.0006 |
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As43 .9503 .75165 .06151 .0176 .0201 .0134 .0194 -.0015 .0039 .0019 |
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Pb44a .6387 .74091 .12709 .75 .0228 .0259 .0197 .0227 -.0043 .0044 .0000 |
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Sb44b .650 .7466 .1205 .25 .034 .046 .040 .016 -.032 .030 -.012 |
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Ag45 .2654 .70516 .09631 .0543 .0286 .074 .0603 .0093 -.0050 -.0083 |
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Ag46 .0835 .71966 .15450 .0559 .081 .0287 .0576 -.0063 .0141 -.0071 |
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Sb47 .3303 .83235 .14525 .35 .0260 .0223 .0246 .0310 .0085 .0100 .0095 |
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As47 .3303 .83235 .14525 .65 .0260 .0223 .0246 .0310 .0085 .0100 .0095 |
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As48 .8846 .84764 .16134 .0169 .0158 .0143 .0205 -.0007 .0020 -.0043 |
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S1 .6128 .30470 .14902 .0185 .023 .009 .023 .001 .002 -.0015 |
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S2 .1178 .3032 .14703 .0178 .023 .015 .016 -.003 .001 .0014 |
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S3 .6084 .3777 .08942 .0156 .018 .017 .011 -.002 .003 -.0033 |
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S4 .1212 .37573 .08806 .0159 .018 .016 .014 .002 .006 .0042 |
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S5 .6167 .4229 .15998 .0174 .016 .016 .020 .001 .001 -.0014 |
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S6 .1232 .42371 .15807 .0172 .022 .014 .015 -.006 .004 .0013 |
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S7 .6268 .3412 .23469 .0174 .018 .020 .015 -.003 .003 -.0038 |
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S8 .1314 .3382 .23789 .0177 .019 .018 .016 .000 .004 .0016 |
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S9 .6118 .23581 .06312 .0172 .017 .014 .020 .000 .002 .000 |
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S10 .1119 .2392 .06355 .0170 .013 .015 .023 -.001 .003 -.002 |
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S11 .6102 .5196 .09193 .0164 .015 .018 .016 -.004 .002 .0049 |
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S12 .1065 .5302 .09812 .0176 .014 .021 .017 .000 .002 .001 |
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S13 .4124 .5310 .16301 .0203 .017 .025 .020 -.001 .001 .003 |
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S14 .8350 .5246 .16117 .0184 .020 .013 .022 -.005 -.002 -.001 |
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S15 .3397 .4508 .22736 .0179 .021 .017 .016 .001 .003 .003 |
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S16 .9195 .4492 .22794 .0164 .015 .018 .016 .000 .002 -.004 |
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S17 .5801 .8792 .20257 .0201 .020 .027 .014 .003 .005 .003 |
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S18 .1613 .8827 .20223 .0179 .018 .019 .016 .000 .001 .003 |
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S19 .3391 .2442 .20238 .0188 .015 .027 .015 .002 -.001 -.001 |
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S20 .9211 .2497 .20391 .0198 .021 .021 .018 .000 .000 .004 |
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S21 .4117 .1926 .12933 .0201 .020 .019 .021 -.003 .001 -.002 |
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S22 .8298 .1955 .12646 .0204 .027 .013 .022 .000 .000 .000 |
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S23 .3354 .1299 .05158 .0184 .013 .017 .025 -.004 .002 .001 |
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S24 .8962 .1267 .05336 .0174 .014 .014 .023 -.005 -.002 .000 |
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S25 .6067 .9543 .02238 .0210 .017 .016 .030 .000 -.005 .009 |
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S26 .1601 .9522 .02319 .0204 .021 .020 .020 .001 .003 .002 |
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S27 .6556 .0338 .10331 .0230 .022 .019 .028 .003 .006 .002 |
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S28 .1024 .0356 .10293 .0207 .026 .016 .020 -.003 .003 .001 |
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S29 .5970 .1057 .18492 .0204 .023 .015 .023 .002 -.001 .002 |
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S30 .1581 .1115 .18398 .0217 .023 .019 .024 -.005 .002 .002 |
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S31 .3492 .6990 .24609 .0242 .026 .019 .028 -.001 .001 .000 |
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S32 .9218 .6860 .23571 .0208 .022 .020 .021 -.001 .002 -.004 |
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S33 .6860 .6526 .17319 .029 .028 .023 .035 -.003 -.001 .009 |
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S34 .0939 .6303 .16317 .030 .028 .028 .032 .006 .002 .008 |
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S35 .5988 .5746 .24488 .0267 .018 .036 .026 -.002 .007 .002 |
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S36 .1625 .5719 .24762 .0204 .021 .018 .022 .001 .005 .001 |
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S37 .6358 .4985 .32563 .0190 .013 .016 .028 -.003 .001 .002 |
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S38 .1140 .4981 .32276 .0199 .019 .015 .025 -.003 .004 .000 |
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S39 .3796 .9258 .09634 .0171 .014 .019 .018 -.001 .005 -.0008 |
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S40 .8829 .9279 .09136 .0200 .021 .017 .022 -.002 .004 .001 |
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S41 .3884 .8440 .01412 .0190 .021 .021 .016 .003 .002 .001 |
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S42 .8890 .84341 .01686 .0162 .019 .011 .018 -.006 .000 -.0024 |
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S43 .3975 .3338 .02800 .0176 .015 .020 .017 -.003 .000 -.002 |
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S44 .8137 .3337 .03128 .0202 .018 .024 .019 .005 .004 -.005 |
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S45 .3230 .4604 .03968 .0202 .020 .020 .021 -.003 .002 -.002 |
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S46 .9069 .4616 .03874 .0190 .019 .013 .025 .002 -.003 .000 |
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S47 .4112 .5896 .03314 .0231 .024 .018 .028 .000 -.001 -.002 |
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S48 .8246 .5900 .04252 .0216 .022 .017 .026 -.004 .005 .009 |
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S49 .3297 .7174 .03390 .0188 .019 .019 .018 .000 .000 -.002 |
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S50 .9310 .7104 .01616 .0180 .015 .019 .021 .003 .004 -.004 |
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S51 .6874 .7623 .06275 .0198 .025 .015 .020 .006 .007 .000 |
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S52 .3758 .7929 .09786 .0218 .022 .026 .017 .001 .001 -.006 |
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S53 .6749 .8420 .13026 .0186 .023 .014 .018 .003 .005 .006 |
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S54 1.0593 .8227 .12564 .0236 .019 .029 .022 .000 .007 .000 |
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S55 .3550 .7631 .17457 .0255 .031 .020 .025 .005 .009 .003 |
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S56 .8673 .7755 .18359 .0187 .016 .023 .017 -.002 .002 .002 |
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S57 .5126 .6530 .10049 .0219 .025 .020 .020 -.002 .001 -.002 |
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S58 .9728 .6938 .09658 .030 .029 .030 .030 -.010 -.006 .013 |
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