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Fettelite |
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Bindi L, Keutsch F N, Francis C A, Menchetti S |
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American Mineralogist 94 (2009) 609-615 |
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Fettelite, [Ag6As2S7][Ag10HgAs2S8] from Chanarcillo, Chile: |
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Crystal structure, pseudosymmetry, twinning, and revised chemical formula |
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Locality: Chanarcillo, Chile |
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_database_code_amcsd 0004906 |
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26.0388 15.0651 15.5361 90 90.48 90 C2 |
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atom x y z occ Uiso |
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Hg1 .12320 .10984 .50147 .0360 |
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Hg2 .13062 .61547 .50052 .0360 |
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Ag1 .27953 .8412 .9149 .0307 |
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Ag2 .0779 .4708 .0866 .0353 |
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Ag3 .04809 .6250 -.0958 .0314 |
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Ag4 -.02875 .3891 .0898 .0285 |
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Ag5 -.03269 -.1126 .0903 .0336 |
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Ag6 .0774 -.0199 .0867 .0355 |
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Ag7 .04708 .1234 .9050 .0328 |
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Ag8 .1669 .2503 .9109 .0339 |
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Ag9 .20505 .1017 .0980 .0290 |
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Ag10 .28171 .3295 .9117 .0344 |
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Ag11 .1785 .7510 .9124 .0365 |
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Ag12 .20053 .6158 .0937 .0330 |
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Ag13 .12915 -.1234 .7115 .0332 |
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Ag14 .11721 .6314 .3025 .0315 |
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Ag15 .01754 .7331 .3082 .0316 |
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Ag16 .01463 .2324 .2960 .0316 |
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Ag17 .13128 .3792 .7070 .0338 |
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Ag18 .2356 .4881 .6979 .0345 |
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Ag19 .11999 .1351 .3084 .0335 |
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Ag20 0 .7553 .5 .0358 |
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Ag21 .13653 .0792 .6901 .0253 |
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Ag22 .18308 .2989 .5006 .0275 |
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Ag23 .1381 .5810 .6946 .0375 |
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Ag24 .11439 .3315 .2991 .0345 |
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Ag25 .17871 .8062 .4976 .0353 |
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Ag26 .2345 -.0113 .6951 .0355 |
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Ag27 .06948 -.0801 .5021 .0323 |
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Ag28 .11638 .8386 .2938 .0288 |
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Ag29 .24814 .1456 .5009 .0335 |
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Ag30 0 .2931 .5 .0364 |
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Ag31 .24920 .4541 .5018 .0331 |
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Ag32 0 .1002 .5 .0378 |
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Ag33 .07288 .4245 .5011 .0336 |
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Ag34 0 .5604 .5 .0313 |
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As1 .0851 .2307 .0728 .0217 |
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As2 .0806 .7307 .0738 .0253 |
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As3 .1669 .4913 .9289 .725 .0246 |
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Sb3 .1669 .4913 .9289 .275 .0246 |
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As4 .1692 -.0067 .9268 .841 .0225 |
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Sb4 .1692 -.0067 .9268 .159 .0225 |
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As5 .2487 .7381 .2850 .0209 |
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As6 .0002 .4774 .2858 .789 .0218 |
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Sb6 .0002 .4774 .2858 .211 .0218 |
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As7 .0012 -.0188 .7148 .838 .0223 |
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Sb7 .0012 -.0188 .7148 .162 .0223 |
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As8 .2506 .2385 .2848 .0250 |
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S1 .0064 .7478 .1519 .028 |
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S2 .1173 .1155 .1525 .024 |
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S3 .2429 .4715 .8579 .025 |
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S4 .1350 .6087 .8548 .018 |
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S5 .0105 .2481 .1396 .023 |
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S6 .1258 -.1116 .8735 .023 |
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S7 .1204 .3828 .8622 .024 |
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S8 .1227 .8454 .1289 .022 |
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S9 .1128 .6157 .1467 .028 |
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S10 .1259 .3399 .1334 .027 |
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S11 .2412 -.0222 .8569 .025 |
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S12 .2541 .7060 -.0035 .026 |
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S13 .1316 .1011 .8502 .023 |
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S14 0 .5194 0 .026 |
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S15 0 .0196 0 .023 |
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S16 .2131 .8538 .3592 .023 |
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S17 .0753 -.0205 .3542 .025 |
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S18 .0858 .7411 .4348 .020 |
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S19 .0829 .2334 .4367 .018 |
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S20 .1663 -.0215 .5604 .022 |
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S21 .2127 .6207 .3506 .019 |
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S22 .0740 .4778 .3518 .024 |
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S23 .0439 -.1278 .6517 .027 |
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S24 -.0379 .3667 .3497 .022 |
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S25 -.0366 .5928 .3545 .025 |
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S26 .1744 .2443 .6456 .022 |
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S27 .2113 .3538 .3564 .024 |
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S28 .2859 .6229 .6494 .020 |
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S29 -.0341 .0945 .3608 .029 |
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S30 .1696 .7348 .6456 .018 |
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S31 .1612 .4833 .5619 .023 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Fettelite |
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Bindi L, Menchetti S |
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American Mineralogist 96 (2011) 792-796 |
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Fast ion conduction character and ionic phase-transition in silver sulfosalts: |
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The case of fettelite [Ag6As2S7][Ag10HgAs2S8] |
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Note: T = 400 K |
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Locality: Synthetic |
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_database_code_amcsd 0018386 |
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7.5984 7.5984 15.557 90 90 120 P-3m1 |
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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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Ag1 .46798 .53202 .30158 .0475 .0454 .0454 .0412 .0149 -.00711 .00711 |
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Ag2 .29657 .14829 .08926 .0613 .0451 .0615 .0718 .0225 -.0365 -.0183 |
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Ag3 .5 0 .5 .854 .077 .138 .028 .0277 .0141 .0003 .0005 |
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Ag4 .275 0 .5 .20 .040 .053 .035 .026 .0173 .0096 .019 |
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Ag5 .201 0 .5 .33 .080 .103 .096 .039 .048 -.0057 -.011 |
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As1 1/3 2/3 .07345 .0283 .0353 .0353 .0143 .0176 0 0 |
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As2 0 0 .28096 .776 .0288 .0349 .0349 .0165 .0175 0 0 |
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Sb2 0 0 .28096 .224 .0288 .0349 .0349 .0165 .0175 0 0 |
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S1 .4840 .5160 .1430 .0587 .081 .081 .0473 .066 .0020 -.0020 |
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S2 .3033 .15166 .35386 .0288 .0318 .0309 .0239 .0159 .0017 .0008 |
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S3 1/3 2/3 .43642 .0288 .0353 .0353 .0160 .0176 0 0 |
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S4 0 0 0 .090 .092 .092 .087 .046 0 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Fettelite |
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Bindi L, Downs R T, Spry P G, Pinch W W, Menchetti S |
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Mineralogical Magazine 76 (2012) 551-566 |
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A chemical and structural re-examination of fettelite samples from the type locality, |
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Odenwald, southwest Germany |
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Sample: R110042 |
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Locality: Odenwald, southwest Germany |
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_database_code_amcsd 0018798 |
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26.030 15.059 15.524 90 90.45 90 C2 |
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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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Hg1 .12317 .10741 .50142 .811 .0259 .0255 .0257 .0264 -.0002 -.0002 .0003 |
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Cu1 .12317 .10741 .50142 .189 .0259 .0255 .0257 .0264 -.0002 -.0002 .0003 |
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Hg2 .13044 .61371 .50032 .762 .0245 .0246 .0243 .0247 -.0005 .0012 .0003 |
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Cu2 .13044 .61371 .50032 .238 .0245 .0246 .0243 .0247 -.0005 .0012 .0003 |
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Ag1 .27942 .83547 .9149 .0303 .0296 .0316 .0297 .0003 .0004 -.0004 |
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Ag2 .07787 .46518 .0867 .0231 .0238 .0217 .0240 -.0020 .0006 -.0008 |
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Ag3 .04799 .61918 -.09576 .0207 .0204 .0208 .0209 -.0005 -.0003 -.0003 |
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Ag4 -.02886 .38295 .0896 .0276 .0268 .0281 .0278 -.0001 -.0004 .0004 |
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Ag5 -.03282 -.11871 .0902 .0269 .0296 .0259 .0252 .0006 .0028 .0004 |
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Ag6 .07739 -.02527 .0867 .0240 .0260 .0221 .0239 -.0012 .0014 -.0012 |
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Ag7 .04706 .1177 .9050 .0304 .0304 .0293 .0316 .0010 .0004 .0013 |
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Ag8 .16718 .24399 .9108 .0240 .0236 .0249 .0235 .0022 -.0013 .0008 |
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Ag9 .20512 .09588 .0978 .0301 .0308 .0302 .0295 -.0011 .0028 .0002 |
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Ag10 .28159 .32376 .9115 .0234 .0239 .0225 .0237 -.0010 .0011 -.0008 |
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Ag11 .17838 .74481 .9122 .0287 .0300 .0262 .0298 -.0026 -.0012 -.0005 |
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Ag12 .20066 .6100 .0936 .0330 .0306 .0355 .0328 -.0006 -.0004 .0007 |
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Ag13 .12931 -.12908 .7113 .0227 .0241 .0220 .0220 .0000 .0013 .0000 |
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Ag14 .11725 .62574 .3026 .0288 .0295 .0279 .0289 -.0008 -.0009 .0000 |
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Ag15 .01748 .72701 .3082 .0262 .0249 .0271 .0267 .0000 -.0025 .0002 |
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Ag16 .01481 .2264 .2965 .0304 .0287 .0324 .0301 -.0013 -.0004 -.0007 |
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Ag17 .13132 .37339 .70689 .0196 .0184 .0200 .0204 .0004 -.0014 .0006 |
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Ag18 .23574 .48206 .6980 .0248 .0236 .0252 .0257 -.0006 .0013 -.0002 |
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Ag19 .12004 .12922 .3083 .0264 .0286 .0252 .0253 .0000 .0012 .0000 |
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Ag20 0 .7316 .5 .0302 .0323 .0286 .0296 0 .0041 0 |
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Ag21 .13640 .07349 .6898 .0239 .0224 .0259 .0234 .0011 -.0029 .0007 |
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Ag22 .18294 .29352 .5007 .0268 .0284 .0267 .0253 -.0004 -.0011 -.0004 |
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Ag23 .13781 .57552 .6945 .0282 .0271 .0296 .0277 .0001 -.0018 .0013 |
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Ag24 .11447 .32572 .29886 .0221 .0230 .0211 .0222 .0010 -.0002 .0010 |
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Ag25 .17866 .80057 .4976 .0258 .0259 .0257 .0258 -.0004 .0005 -.0009 |
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Ag26 .23458 -.01717 .6953 .0269 .0270 .0263 .0274 -.0013 .0007 -.0005 |
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Ag27 .06951 -.08579 .50236 .0211 .0232 .0193 .0206 -.0003 .0022 -.0006 |
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Ag28 .11660 .83255 .2937 .0283 .0286 .0283 .0281 .0015 -.0005 .0001 |
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Ag29 .24810 .13996 .50085 .0220 .0214 .0210 .0235 -.0006 .0014 -.0005 |
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Ag30 0 .2874 .5 .0230 .0242 .0207 .0242 0 .0036 0 |
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Ag31 .24918 .44863 .5017 .0234 .0204 .0252 .0246 -.0012 -.0023 -.0006 |
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Ag32 0 .0945 .5 .0262 .0255 .0275 .0257 0 -.0003 0 |
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Ag33 .07276 .41872 .50135 .0222 .0218 .0227 .0221 -.0005 .0017 .0004 |
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Ag34 0 .5762 .5 .0217 .0233 .0200 .0219 0 .0011 0 |
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As1 .08490 .2250 .07298 .0233 .0220 .0255 .0222 .0007 -.0016 -.0004 |
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As2 .0806 .7248 .0741 .0257 .0254 .0255 .0261 -.0007 -.0013 -.0010 |
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As3 .16697 .4856 .9289 .0211 .0219 .0206 .0210 -.0003 -.0002 -.0004 |
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As4 .16915 -.0125 .9266 .0194 .0198 .0195 .0191 -.0007 .0016 -.0007 |
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As5 .24888 .7325 .2850 .0207 .0209 .0209 .0201 -.0001 -.0012 -.0016 |
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As6 .00058 .4716 .2860 .0208 .0193 .0208 .0223 -.0025 -.0001 -.0002 |
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As7 .00114 -.0244 .7149 .0209 .0203 .0215 .0209 .0012 -.0005 -.0014 |
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As8 .25080 .2328 .2849 .0200 .0188 .0208 .0203 -.0003 -.0020 .0000 |
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S1 .0061 .7417 .1519 .033 .031 .035 .033 .006 -.002 .0012 |
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S2 .1173 .1103 .1532 .039 .037 .037 .044 .004 .003 .001 |
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S3 .2440 .4662 .8581 .039 .040 .031 .047 .002 .004 -.003 |
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S4 .1353 .6030 .8549 .030 .028 .033 .028 -.004 -.001 -.0019 |
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S5 .0105 .2421 .1396 .042 .039 .048 .039 .005 .001 -.001 |
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S6 .1261 -.1170 .8736 .031 .042 .026 .024 .000 .001 .0024 |
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S7 .1212 .3769 .8620 .029 .029 .027 .032 -.002 -.002 .0018 |
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S8 .1228 .8401 .1300 .035 .035 .030 .040 .003 -.002 -.0007 |
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S9 .1128 .6095 .1467 .034 .036 .030 .037 .002 .001 .0012 |
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S10 .1258 .3348 .1339 .037 .037 .036 .036 -.001 -.003 .000 |
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S11 .2417 -.0276 .8567 .042 .042 .042 .041 -.003 .000 -.004 |
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S12 .2542 .7008 -.0032 .034 .029 .037 .036 .002 -.010 .001 |
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S13 .1325 .0953 .8512 .037 .041 .035 .036 -.003 -.002 -.0004 |
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S14 0 .5141 0 .040 .034 .029 .057 0 -.001 0 |
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S15 0 .0140 0 .032 .024 .027 .045 0 .002 0 |
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S16 .2133 .8494 .3597 .038 .049 .032 .034 .004 .007 .0034 |
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S17 .0755 -.0261 .3536 .037 .028 .041 .042 .004 -.001 .003 |
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S18 .0857 .7403 .4531 .032 .029 .032 .033 .002 .005 -.0021 |
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S19 .0828 .2305 .4414 .038 .034 .046 .033 -.004 .003 -.003 |
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S20 .1668 -.0242 .5465 .034 .037 .034 .030 -.002 .006 .0056 |
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S21 .2126 .6145 .3510 .036 .047 .025 .034 .002 .002 -.0003 |
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S22 .0742 .4732 .3511 .037 .027 .046 .039 .007 -.003 .007 |
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S23 .0431 -.1346 .6504 .034 .039 .029 .034 .004 .001 .0011 |
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S24 -.0376 .3610 .3509 .034 .041 .035 .026 .001 .002 -.0015 |
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S25 -.0358 .5870 .3551 .031 .030 .024 .038 .004 .001 .0023 |
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S26 .1733 .2390 .6447 .033 .034 .030 .035 -.003 .004 -.0001 |
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S27 .2113 .3491 .3564 .033 .038 .026 .035 -.001 .004 .0002 |
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S28 .2857 .6165 .6493 .036 .039 .038 .032 -.006 -.003 -.003 |
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S29 -.0336 .0893 .3612 .033 .023 .035 .041 .005 -.004 .0031 |
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S30 .1692 .7296 .6442 .038 .042 .036 .034 -.004 .001 .002 |
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S31 .1605 .4818 .5593 .033 .037 .031 .031 -.004 .008 -.0014 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Total number of retrieved datasets: 