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Simonite |
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Engel P, Nowacki W, Balic-Zunic T, Scavnicar S |
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Zeitschrift fur Kristallographie 161 (1982) 159-166 |
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The crystal structure of simonite, TlHgAs3S6 |
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5.948 11.404 15.979 90 90.15 90 P2_1/n |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Tl .3855 .38393 .31816 .0196 .00493 .00321 -.00120 .00125 .000295 |
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Hg .9365 .39814 .09751 .0191 .00510 .00131 .00085 -.00040 -.000395 |
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As1 .0192 .1308 .4320 .0100 .0027 .00123 -.00030 -.00055 -.00010 |
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As2 .3989 .1584 .0825 .0084 .0032 .00130 -.00065 .0001 .00025 |
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As3 .7025 .1301 .2515 .0096 .0030 .00116 .00100 .00005 .00005 |
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S1 .3778 .3419 .1202 .0111 .0040 .0018 .00145 -.00035 -.00030 |
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S2 .7801 .1313 .1131 .0124 .0035 .0015 .00095 .00015 .00030 |
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S3 .3931 .1419 .4502 .0108 .0041 .0013 .00025 -.00040 .00020 |
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S4 .9279 .3272 .4420 .0132 .0034 .0015 .00090 -.00030 .00020 |
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S5 .0716 .1394 .2882 .0108 .0035 .0013 -.00080 -.00030 -.00025 |
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S6 .8772 .4393 .2430 .0112 .0029 .0014 .00115 .00020 .00000 |
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