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Aravaipaite |
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Kampf A R, Yang H, Downs R T, Pinch W W |
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American Mineralogist 96 (2011) 402-407 |
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The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite |
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Locality: Grand Reef mine, Aravaipa mining district, Arizona, USA |
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_database_code_amcsd 0018320 |
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5.6637 5.8659 12.7041 98.725 94.020 90.683 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .30470 .11693 .36471 .01512 .01590 .01373 .01576 .00132 .00129 .00219 |
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Pb2 .76753 .04754 .11751 .02400 .0365 .01645 .0190 -.00141 .00197 .00279 |
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Pb3 .27468 .51132 .11789 .01756 .01676 .01772 .0179 .00000 .00200 .00137 |
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Al .7940 .6181 .3082 .0124 .0098 .0129 .0145 .0012 .0001 .0022 |
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F1 .0486 .7745 .2740 .0265 .025 .026 .027 -.007 .013 -.006 |
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F2 .7369 .5094 .1661 .0249 .027 .033 .014 -.002 -.001 .000 |
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F3 .8488 .7199 .4455 .0290 .024 .047 .015 .000 .002 .001 |
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F4 .5192 .4752 .3306 .0257 .022 .025 .031 -.009 .001 .007 |
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F5 .6158 .8676 .2863 .0265 .030 .019 .034 .013 .013 .009 |
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F6 .9587 .3635 .3170 .0394 .035 .032 .052 .016 -.005 .011 |
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F7 .4996 .2430 .9924 .0188 .020 .017 .019 .0015 .000 .003 |
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F8 .0007 .2475 .9953 .0176 .019 .020 .013 .0015 -.0028 .0019 |
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F9 .2942 .1283 .1710 .0407 .083 .025 .014 .000 .000 .004 |
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OW .6621 .2257 .5128 .0200 .013 .020 .027 .000 .005 .000 |
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H1 .597 .338 .555 .050 |
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H2 .814 .253 .509 .050 |
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Calcioaravaipaite |
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Kampf A R, Yang H, Downs R T, Pinch W W |
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American Mineralogist 96 (2011) 402-407 |
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The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite |
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Locality: Grand Reef mine, Aravaipa mining district, Arizona, USA |
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_database_code_amcsd 0018321 |
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5.3815 5.3846 12.2034 91.364 101.110 91.525 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb .27238 .28211 .107209 .01678 .01998 .01783 .01279 .00242 .00367 -.00039 |
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Ca1 .04213 .75777 .61450 .00876 .0094 .0074 .0095 .00025 .0019 .00039 |
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Ca2 .44851 .73503 .38616 .00891 .0092 .0077 .0097 -.00027 .0016 .00065 |
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Al .20387 .20662 .81864 .00910 .0098 .0092 .0083 -.0003 .0017 .0006 |
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F1 .8481 .0489 .09603 .0234 .0285 .0199 .0233 .0002 .0080 .0075 |
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F2 .7419 .5504 .27419 .0165 .0189 .0136 .0195 .0030 .0087 .0071 |
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F3 .3698 .0017 .73490 .0141 .0152 .0125 .0154 .0030 .0045 .0003 |
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F4 .0419 .4057 .90021 .0180 .0219 .0186 .0147 .0060 .0058 -.0011 |
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F5 .9168 .1103 .72148 .0169 .0117 .0169 .0198 .0011 -.0025 -.0042 |
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F6 .5004 .2955 .90746 .0226 .0156 .0273 .0220 -.0029 -.0028 -.0032 |
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F7 .2517 .0076 .50112 .0118 .0122 .0098 .0136 .0012 .0024 .0011 |
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F8 .2503 .5117 .50560 .0116 .0120 .0103 .0130 -.0002 .0038 -.0002 |
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F9 .2567 .3857 .29105 .0154 .0185 .0154 .0126 -.0043 .0051 -.0035 |
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Argentopyrite |
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Yang H, Pinch W W, Downs R T |
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American Mineralogist 94 (2009) 1727-1730 |
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Crystal structure of argentopyrite, AgFe2S3, and its relationship with cubanite |
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Locality: Joachimstal, Bohemia, Czech Republic, type sample |
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_database_code_amcsd 0004994 |
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6.6902 11.4497 6.4525 90 90 90.2420 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ag .33197 .16461 .38491 .0336 .0313 .0351 .0345 -.0034 .0003 -.0040 |
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Fe1 .83066 .32887 .37493 .0158 .0146 .0142 .0186 -.0008 .0004 -.0019 |
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Fe2 .32872 .49989 .37518 .0154 .0131 .0148 .0184 -.0006 -.0010 -.0005 |
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S1 .14775 .34665 .27103 .0204 .0154 .0198 .0261 -.0045 .0018 -.0041 |
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S2 .64979 .48920 .26747 .0174 .0147 .0190 .0184 .0015 .0015 .0023 |
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S3 .68393 .17049 .23119 .0174 .0180 .0156 .0186 -.0014 .0009 -.0039 |
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Esperite |
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Tait K T, Yang H, Downs R T, Li C, Pinch W W |
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American Mineralogist 95 (2010) 699-705 |
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The crystal structure of esperite, with a revised chemical formula, |
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PbCa2(ZnSiO4)3, isostructural with beryllonite |
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Locality: Franklin, New Jersey, USA |
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_database_code_amcsd 0005046 |
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8.7889 8.2685 15.2535 90 90.050 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb .245756 .055200 .250826 .00928 .01076 .00671 .01038 .00027 .00008 -.00001 |
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Ca1 .73827 .46078 .07414 .00779 .0082 .0068 .0084 -.0006 .0008 .0004 |
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Ca2 .76071 .03835 .08855 .00768 .0095 .0060 .0076 -.0006 -.0010 .0004 |
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Zn1 .57626 .33526 .24338 .00795 .00805 .00877 .00704 -.00053 .00070 -.00056 |
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Zn2 .07422 .33879 .09038 .00789 .00759 .00824 .00786 -.00036 .00004 .00054 |
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Zn3 .09274 .33936 .41626 .00797 .00828 .00850 .00713 .00048 -.00057 -.00032 |
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Si1 .91112 .22833 .26527 .00588 .0062 .0058 .0057 .0005 -.0001 -.0003 |
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Si2 .43933 .22969 .41207 .00581 .0062 .0059 .0053 -.0003 .0005 .0000 |
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Si3 .39507 .22585 .07455 .00596 .0060 .0058 .0062 -.0005 .0002 .0001 |
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O1 .4095 .2295 .1819 .0094 .0095 .0121 .0066 -.0038 .0005 -.0003 |
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O2 .4339 .7366 .2947 .0093 .0075 .0121 .0083 -.0016 .0007 -.0038 |
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O3 .2698 .2303 .3661 .0095 .0079 .0117 .0089 .0023 -.0019 -.0038 |
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O4 .7684 .2503 .1979 .0087 .0080 .0109 .0071 .0019 -.0012 -.0016 |
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O5 .9125 .2422 .0170 .0082 .0097 .0096 .0052 -.0020 .0004 -.0002 |
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O6 .5655 .2541 .0346 .0086 .0067 .0104 .0088 -.0015 .0012 -.0018 |
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O7 .5464 .3672 .3678 .0097 .0130 .0088 .0073 -.0034 .0019 .0002 |
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O8 .2762 .3633 .0417 .0099 .0091 .0087 .0118 .0021 .0013 .0041 |
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O9 .9147 .3644 .3420 .0097 .0107 .0085 .0098 .0015 -.0029 -.0036 |
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O10 .5889 .5519 .1881 .0115 .0173 .0063 .0108 -.0007 .0033 -.0009 |
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O11 -.0172 .5545 .1060 .0102 .0096 .0055 .0156 -.0006 .0012 .0004 |
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O12 .1723 .5508 .4532 .0103 .0123 .0067 .0120 .0011 -.0034 .0005 |
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Plumboselite |
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Kampf A R, Mills S J, Pinch W W |
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Mineralogy and Petrology 101 (2011) 75-80 |
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Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia |
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Locality: Tsumeb, Namibia |
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_database_code_amcsd 0018379 |
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10.5384 10.7452 5.7577 90 90 90 Cmc2_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .0 .8816 .814 .0204 .0197 .0162 .025 .0 .0 -.007 |
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Pb2 .24794 .11233 .8125 .0199 .0200 .0207 .0190 -.0053 .006 .002 |
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Se .5 .8698 .8652 .024 .000 .032 .041 .0 .0 .001 |
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O1 .138 1.000 .048 .029 |
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O2 .5 .723 .765 .015 |
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O3 .624 .930 .717 .028 |
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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: R100124 |
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Locality: Odenwald, southwest Germany |
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_database_code_amcsd 0018797 |
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26.011 15.048 15.513 90 90.40 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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Fe1 .12290 .10428 .50143 .546 .0175 .01671 .01724 .01860 -.00001 .00049 .00003 |
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Hg1 .12290 .10428 .50143 .454 .0175 .01671 .01724 .01860 -.00001 .00049 .00003 |
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Fe2 .13030 .61018 .50011 .506 .0173 .01660 .01696 .01832 .00011 .00047 .00011 |
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Hg2 .13030 .61018 .50011 .494 .0173 .01660 .01696 .01832 .00011 .00047 .00011 |
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Ag1 .28021 .83512 .91440 .0259 .0259 .02531 .02657 -.00011 .00063 -.00018 |
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Ag2 .07835 .46559 .08702 .0247 .0244 .02430 .02536 -.00016 .00050 .00019 |
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Ag3 .04773 .61816 -.09586 .02018 .0197 .02005 .02085 -.00003 .00059 .00014 |
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Ag4 -.02857 .38326 .08976 .01871 .01876 .01833 .01906 .00033 .00040 -.00007 |
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Ag5 -.03304 -.11835 .08981 .01957 .0190 .01934 .02040 .00016 .00022 .00009 |
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Ag6 .07675 -.02592 .08682 .02065 .0205 .02072 .02075 .00006 .00049 .00024 |
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Ag7 .04689 .11624 .90526 .01833 .0180 .01807 .01889 -.00015 .00044 -.00023 |
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Ag8 .16703 .24525 .91108 .01903 .0186 .01870 .01974 .00020 -.00008 .00010 |
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Ag9 .20499 .09411 .09844 .0254 .0255 .02514 .02567 -.00007 .00122 -.00013 |
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Ag10 .28137 .32277 .91184 .02240 .0219 .02224 .02312 -.00032 .00045 -.00011 |
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Ag11 .17836 .74447 .91295 .01897 .01873 .01894 .01924 -.00022 .00068 .00001 |
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Ag12 .20062 .60923 .09394 .02076 .0209 .01995 .02147 -.00027 .00067 -.00002 |
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Ag13 .12902 -.12902 .71083 .02133 .0211 .02094 .02199 .00002 .00037 -.00005 |
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Ag14 .11669 .62581 .30174 .02276 .0227 .02187 .02368 .00003 .00119 -.00005 |
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Ag15 .01731 .72843 .30764 .01605 .01589 .01513 .01715 -.00023 .00058 .00003 |
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Ag16 .01448 .22697 .29593 .01684 .01618 .01658 .01777 -.00042 -.00004 -.00010 |
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Ag17 .13161 .37402 .70735 .02002 .0196 .01958 .02086 .00000 .00011 -.00025 |
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Ag18 .23521 .48299 .69742 .01990 .0199 .01948 .02034 .00065 .00029 .00023 |
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Ag19 .11995 .12830 .30838 .02386 .0238 .02298 .02485 -.00021 .00114 -.00042 |
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Ag20 0 .75526 .5 .0189 .0190 .0189 .01887 0 .00061 0 |
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Ag21 .13656 .07341 .69020 .01554 .01533 .01476 .01653 -.00037 .00076 .00018 |
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Ag22 .18300 .29319 .50033 .01686 .01644 .01664 .01750 .00001 .00017 -.00004 |
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Ag23 .13753 .57402 .69499 .01912 .01898 .01825 .02014 -.00035 .00083 .00010 |
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Ag24 .11434 .32675 .29817 .02107 .0210 .02051 .02173 -.00032 .00073 .00022 |
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Ag25 .17829 .80086 .49719 .02178 .0219 .02086 .02257 .00013 .00074 -.00007 |
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Ag26 .23462 -.01597 .69520 .01659 .0161 .01638 .01730 .00020 .00022 .00017 |
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Ag27 .06952 -.08556 .50162 .01937 .0196 .01848 .01998 .00020 .00064 .00005 |
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Ag28 .11663 .83269 .29454 .02098 .0213 .01983 .02183 -.00040 .00088 .00033 |
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Ag29 .24802 .13711 .50137 .01682 .0167 .01637 .01743 -.00002 .00051 -.00009 |
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Ag30 0 .28369 .5 .0191 .0191 .01835 .01994 0 .00069 0 |
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Ag31 .24856 .45515 .50208 .01653 .0157 .01611 .01774 .00004 .00013 .00006 |
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Ag32 0 .09672 .5 .0240 .0240 .0232 .02487 0 .0009 0 |
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Ag33 .07230 .41941 .50040 .02052 .0204 .01981 .02136 .00029 .00056 .00002 |
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Ag34 0 .56031 .5 .01567 .0161 .01497 .01591 0 .00065 0 |
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As1 .08444 .22513 .07232 .0220 .0216 .0215 .0228 -.00080 -.0001 -.00041 |
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As2 .08084 .72355 .07285 .0203 .0197 .0200 .0212 .00003 .0003 .00004 |
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As3 .16626 .48536 .92769 .0184 .0173 .0187 .01899 .00018 .0004 -.00044 |
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As4 .16989 -.01196 .92668 .0216 .0219 .0209 .0220 -.00067 .0003 -.00054 |
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As5 .24901 .73297 .28512 .0170 .0171 .0165 .01753 .00033 .0009 .00029 |
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As6 .00013 .47190 .28488 .0180 .0176 .0177 .01864 .00003 .0008 .00043 |
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As7 .00114 -.02438 .71439 .0142 .0145 .01340 .01462 -.00014 .00078 -.00006 |
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As8 .25028 .23298 .28479 .0150 .0153 .01436 .01531 .00029 .00080 .00042 |
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S1 .00661 .74554 .15107 .0223 .0209 .0227 .0231 .0016 .0018 -.0022 |
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S2 .11788 .11159 .15381 .0249 .0240 .0247 .0258 -.0005 .0003 .0010 |
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S3 .24226 .46568 .85759 .0178 .0172 .0176 .0187 .0009 .0005 -.0001 |
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S4 .13515 .60325 .85525 .0140 .0150 .0123 .0146 .0009 .0013 .0005 |
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S5 .01035 .24233 .13887 .0168 .0154 .0167 .0183 -.0003 .0006 .0007 |
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S6 .12487 -.11805 .87426 .0203 .0210 .0185 .0213 .0020 .0016 -.0004 |
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S7 .12064 .37808 .86105 .0198 .0193 .0190 .0212 .0003 .0024 .0003 |
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S8 .12282 .83964 .12975 .0143 .0137 .0139 .0151 -.0001 .0005 .0004 |
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S9 .11306 .61056 .14685 .0191 .0187 .0193 .0192 -.0009 .0006 .0001 |
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S10 .12580 .33539 .13245 .0220 .0206 .0220 .0233 .0002 .0009 .0007 |
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S11 .24145 -.02660 .85481 .0167 .0180 .0152 .0171 -.0010 .0003 .0006 |
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S12 .25443 .69873 -.00351 .0190 .0184 .0188 .0199 -.0003 .0003 .0007 |
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S13 .13136 .09774 .85122 .0129 .0123 .0124 .0141 .0007 .0004 .0003 |
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S14 0 .51168 0 .0130 .0143 .0102 .0145 0 -.0003 0 |
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S15 0 .01297 0 .0200 .0188 .0199 .0213 0 -.0002 0 |
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S16 .21319 .84667 .35884 .0160 .0156 .0166 .0158 -.0005 .0002 .0004 |
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S17 .07400 -.02650 .35289 .0158 .0153 .0156 .0163 -.0012 -.0003 .0006 |
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S18 .08550 .73689 .46472 .0156 .0134 .0151 .0181 .0001 -.0011 -.0016 |
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S19 .08326 .22844 .44726 .0172 .0150 .0172 .0193 -.0006 -.0018 -.0009 |
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S20 .16669 -.02623 .53039 .0131 .0112 .0134 .0146 .0007 .0005 .0001 |
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S21 .21299 .61444 .35125 .0147 .0163 .0132 .0145 .0004 -.0001 -.0005 |
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S22 .07369 .47227 .35161 .0116 .0115 .0119 .0113 -.0015 -.0002 .0001 |
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S23 .04260 -.13486 .65087 .0180 .0165 .0198 .0176 -.0010 -.0018 .0006 |
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S24 -.03842 .36196 .34823 .0147 .0144 .0156 .0142 .0001 -.0003 .0003 |
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S25 -.03742 .58788 .35383 .0155 .0146 .0164 .0154 -.0007 .0001 -.0008 |
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S26 .17414 .23817 .64448 .0145 .0131 .0153 .0152 .0002 -.0001 .0003 |
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S27 .21099 .34744 .35752 .0106 .0099 .0105 .0115 -.0002 .0000 .0001 |
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S28 .28549 .61957 .65009 .0159 .0157 .0153 .0168 .0015 -.0003 .0002 |
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S29 -.03374 .08965 .36107 .0110 .0107 .0116 .0106 -.0010 .0009 -.0005 |
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S30 .16878 .72989 .64438 .0178 .0184 .0171 .0181 .0006 .0010 -.0004 |
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S31 .16113 .47849 .55879 .0104 .0088 .0106 .0118 -.0001 -.0011 -.0004 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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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 |
|
S1 .0061 .7417 .1519 .033 .031 .035 .033 .006 -.002 .0012 |
|
S2 .1173 .1103 .1532 .039 .037 .037 .044 .004 .003 .001 |
|
S3 .2440 .4662 .8581 .039 .040 .031 .047 .002 .004 -.003 |
|
S4 .1353 .6030 .8549 .030 .028 .033 .028 -.004 -.001 -.0019 |
|
S5 .0105 .2421 .1396 .042 .039 .048 .039 .005 .001 -.001 |
|
S6 .1261 -.1170 .8736 .031 .042 .026 .024 .000 .001 .0024 |
|
S7 .1212 .3769 .8620 .029 .029 .027 .032 -.002 -.002 .0018 |
|
S8 .1228 .8401 .1300 .035 .035 .030 .040 .003 -.002 -.0007 |
|
S9 .1128 .6095 .1467 .034 .036 .030 .037 .002 .001 .0012 |
|
S10 .1258 .3348 .1339 .037 .037 .036 .036 -.001 -.003 .000 |
|
S11 .2417 -.0276 .8567 .042 .042 .042 .041 -.003 .000 -.004 |
|
S12 .2542 .7008 -.0032 .034 .029 .037 .036 .002 -.010 .001 |
|
S13 .1325 .0953 .8512 .037 .041 .035 .036 -.003 -.002 -.0004 |
|
S14 0 .5141 0 .040 .034 .029 .057 0 -.001 0 |
|
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 |
|
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 |
|
S20 .1668 -.0242 .5465 .034 .037 .034 .030 -.002 .006 .0056 |
|
S21 .2126 .6145 .3510 .036 .047 .025 .034 .002 .002 -.0003 |
|
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 |
|
S25 -.0358 .5870 .3551 .031 .030 .024 .038 .004 .001 .0023 |
|
S26 .1733 .2390 .6447 .033 .034 .030 .035 -.003 .004 -.0001 |
|
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 |
|
S30 .1692 .7296 .6442 .038 .042 .036 .034 -.004 .001 .002 |
|
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
|
| |
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