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Malhmoodite |
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Yang H, Gu X, Loomis T, Gibbs R B, Downs R T |
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The Canadian Mineralogist 60 (2022) 485-492 |
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The crystal structure of malhmoodite from Custer, South Dakota, USA |
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Locality: Scott’s Rose Quartz mine, Custer County, South Dakota, USA |
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_database_code_amcsd 0021077 |
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5.31200 9.3419 9.7062 97.6111 91.9796 90.363 P-1 |
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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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Zr .25126 .74833 .49328 .95 .00673 .00608 .00555 .00850 .00018 -.00084 .00098 |
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Hf .25126 .74833 .49328 .05 .00673 .00608 .00555 .00850 .00018 -.00084 .00098 |
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Fe1 0 0 0 .01812 .01426 .02813 .01216 -.00214 -.00203 .00413 |
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Fe2 .5 .5 0 .01849 .01820 .02339 .01324 .00224 -.00260 .00073 |
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P1 .26803 .44975 .67923 .00733 .00708 .00695 .00784 .00025 -.00085 .00079 |
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P2 .23105 .05873 .32392 .00716 .00709 .00652 .00782 .00018 -.00038 .00096 |
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O1 .31376 .59265 .62190 .01723 .02125 .01165 .02072 -.00075 -.00072 .00965 |
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O2 .24004 .47933 .83585 .01647 .01677 .02334 .00920 .00271 .00053 .00168 |
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O3 .49080 .34866 .64530 .01442 .01418 .01520 .01386 .00620 .00170 .00121 |
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O4 .02760 .37708 .61319 .01711 .01151 .01724 .02082 -.00582 -.00497 -.00232 |
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O5 .00455 .15316 .36776 .01712 .01362 .01705 .01951 .00478 .00309 -.00282 |
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O6 .25436 .05113 .16670 .01658 .01326 .02683 .00981 -.00256 -.00095 .00352 |
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O7 .47074 .12575 .39711 .01502 .01403 .01512 .01502 -.00472 -.00517 .00036 |
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O8 .18909 -.09405 .36223 .01582 .01927 .01041 .01863 -.00318 -.00503 .00669 |
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O9 .28221 .86197 .89582 .02279 .01723 .03298 .01803 -.00305 .00230 .00266 |
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H1_m .44218 .90743 .88305 .03418 |
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H2_m .21812 .81150 .80475 .03418 |
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O10 .16695 .15974 .88697 .03064 .03069 .02849 .03314 -.00542 -.00035 .00628 |
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H3_m .11244 .26256 .93124 .04595 |
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H4_m .14687 .14240 .78961 .04595 |
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O11 .22236 .38664 .11391 .02701 .02219 .03020 .02967 .00250 .00854 .00578 |
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H5_k .08046 .45269 .13021 .04051 |
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H6_k .26774 .35937 .20467 .04051 |
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O12 .31388 .68569 .08921 .02998 .03594 .02989 .02413 .01237 -.00030 .00345 |
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H7_k .30160 .76551 .02456 .04497 |
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H8_k .33262 .72836 .18921 .04497 |
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View JMOL 3-D Structure (permalink) |
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