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Pyrrhotite |
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Liles D C, de Villiers J P R |
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American Mineralogist 97 (2012) 257-261 |
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Redetermination of structure of 5C pyrrhotite at low |
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temperature and at room temperature |
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T = 293 K |
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Locality: Copper Cliff mine, Sudbury, Canada |
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_database_code_amcsd 0020730 |
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6.893 28.643 6.899 90 120.048 90 P2_1 |
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atom x y z occ Uiso |
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Fe1 .4713 .21548 .7487 .0149 |
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Fe2 .0019 -.0884 .7298 .475 .0115 |
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Fe3 .5093 .11557 .7488 .0221 |
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Fe4 .0184 -.08468 .2721 .0181 |
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Fe5 -.0109 .01168 .7573 .938 .0266 |
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Fe6 .5255 .31572 .7502 .0244 |
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Fe7 -.0324 .01501 .2167 .0177 |
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Fe8 .9875 .31558 .7637 .0228 |
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Fe9 .0026 -.1806 .7670 .598 .0137 |
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Fe10 -.4744 .01473 .7793 .0177 |
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Fe11 .4762 -.08504 .7254 .950 .0161 |
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Fe12 .5073 .01924 .2395 .0187 |
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Fe13 .0019 .11622 .2397 .0212 |
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Fe14 .5015 .20993 .2357 .803 .0199 |
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Fe15 .0133 .21822 .2770 .0156 |
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Fe16 .0260 .21483 .7422 .947 .0142 |
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Fe17 .4998 -.18629 .7462 .0183 |
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Fe18 -.0115 .11473 .7447 .0155 |
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Fe19 .529 .1197 .272 .302 .114 |
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Fe20 -.5093 -.08262 .2597 .0184 |
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S1 .3305 -.0301 .4160 .0090 |
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S2 .3305 -.0347 .9154 .0109 |
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S3 -.1612 .1651 .4158 .0106 |
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S4 .1649 -.1376 .5813 .0107 |
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S5 -.1694 -.0402 .9151 .0119 |
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S6 -.1693 -.0344 .4143 .0101 |
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S7 .6696 .2612 .5851 .0140 |
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S8 .3326 .1613 .9145 .0136 |
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S9 .1613 .0650 .0768 .0127 |
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S10 .1664 .0630 .5802 .0145 |
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S11 .3355 .1656 .4171 .0125 |
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S12 .6676 .2650 .0847 .0110 |
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S13 .1717 .2640 .0857 .0101 |
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S14 -.3386 -.1342 .0810 .0123 |
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S15 .1703 .27065 .5876 .0086 |
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S16 .8364 .1686 .9153 .0081 |
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S17 .1650 -.1324 .0829 .0123 |
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S18 -.3403 -.1347 .5805 .0115 |
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S19 .6683 .0689 .0816 .0135 |
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S20 .6663 .0643 .5838 .0122 |
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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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