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Vurroite |
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Pinto D, Bonaccorsi E, Balic-Zunic T, Makovicky E |
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American Mineralogist 93 (2008) 713-727 |
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The crystal structure of vurroite, Pb20Sn2(Bi,As)22S54Cl6: OD-character, |
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polytypism, twinning, and modular description |
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Locality: Vulcano, Aeolian Islands, Italy |
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_database_code_amcsd 0004570 |
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8.371 45.502 27.273 90 98.83 90 C2/c |
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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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PbM1 .3838 .12038 .50934 .0486 .045 .059 .0410 .006 .003 -.0032 |
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PbM2 .8798 .11928 .50973 .0507 .049 .060 .0428 .013 .004 -.0049 |
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PbM3 .3037 .07225 .36465 .0577 .045 .049 .077 -.0009 .006 -.0146 |
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PbM4 .8105 .07164 .36639 .0552 .045 .049 .069 -.002 .003 -.013 |
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PbM5 .3094 .16778 .36618 .0567 .050 .050 .072 -.001 .013 .0202 |
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PbM6 .8079 .16868 .36905 .0581 .046 .050 .078 -.003 .008 .0238 |
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PbM7 .7387 .99299 .74970 .80 .0607 .040 .097 .0457 -.014 .008 -.003 |
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BiM7 .7387 .99299 .74970 .20 .0607 .040 .097 .0457 -.014 .008 -.003 |
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PbM8 .7385 .22831 .25004 .60 .0437 .038 .0541 .0396 -.0054 .007 -.0007 |
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BiM8 .7385 .22831 .25004 .40 .0437 .038 .0541 .0396 -.0054 .007 -.0007 |
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PbM9 .9617 .09124 .66089 .0583 .049 .065 .060 -.006 .006 .0076 |
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PbM10 .4553 .09208 .6680 .0845 .077 .076 .1140 -.002 .041 -.010 |
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PbM11 .2326 .1776 .7445 .2 .0241 |
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BiM11 .2396 .1635 .7444 .3 .0241 |
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AsM11 .244 .1524 .7521 .5 .0241 |
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SnM12 .0295 .12079 .2499 .36 .042 |
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BiM12 .0295 .12079 .2499 .14 .042 |
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SnM13 .5409 .12114 .2501 .36 .040 |
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BiM13 .5409 .12114 .2501 .14 .040 |
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BiM14 .5606 .25453 .37186 .0387 .036 .0406 .0411 -.006 .009 -.0070 |
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AsM15 .4301 .25011 .6298 .037 .031 .028 .054 .007 .010 -.001 |
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BiM16 .1190 .21064 .49487 .0594 .049 .088 .0438 -.005 .013 -.0017 |
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AsM17 .6252 .20655 .4864 .0299 .031 .017 .047 .006 .023 .006 |
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AsM18 .195 .1689 .6129 .81 .025 |
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BiM18 .194 .1696 .6289 .19 .025 |
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BiM19 .6726 .16939 .61481 .0632 .057 .079 .054 -.010 .006 -.0108 |
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AsM20 .131 .0434 .5049 .62 .045 |
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BiM20 .128 .0411 .4997 .38 .045 |
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BiM21 .6265 .04028 .49896 .0437 .048 .0405 .0435 -.002 .010 -.0005 |
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AsM22 .930 .0088 .6278 .78 .028 |
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BiM22 .947 .009 .6114 .22 .028 |
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BiM23 .4306 .00887 .62198 .0536 .052 .060 .0454 .003 -.003 .0066 |
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S1 .172 .1181 .5939 .9643 .029 |
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ClS1 .172 .1181 .5939 .0357 .029 |
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S2 .664 .1147 .5847 .9643 .032 |
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ClS2 .664 .1147 .5847 .0357 .032 |
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S3 .096 .0854 .4484 .9643 .030 |
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ClS3 .096 .0854 .4484 .0357 .030 |
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S4 .600 .0885 .4509 .9643 .027 |
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ClS4 .600 .0885 .4509 .0357 .027 |
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S5 .105 .1603 .4476 .9643 .019 |
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ClS5 .105 .1603 .4476 .0357 .019 |
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S6 .609 .1603 .4556 .9643 .031 |
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ClS6 .609 .1603 .4556 .0357 .031 |
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S7 .456 .2929 .6726 .9643 .028 |
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ClS7 .456 .2929 .6726 .0357 .028 |
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S8 .542 .2059 .3204 .9643 .023 |
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ClS8 .542 .2059 .3204 .0357 .023 |
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S9 .040 .1209 .3418 .9643 .029 |
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ClS9 .040 .1209 .3418 .0357 .029 |
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S10 .535 .1213 .3419 .9643 .033 |
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ClS10 .535 .1213 .3419 .0357 .033 |
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S11 .044 .0338 .3236 .9643 .032 |
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ClS11 .044 .0338 .3236 .0357 .032 |
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S12 .460 .9647 .6828 .9643 .027 |
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ClS12 .460 .9647 .6828 .0357 .027 |
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S13 .763 .0817 .2498 .9643 .034 |
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ClS13 .763 .0817 .2498 .0357 .034 |
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S14 .760 .1602 .2492 .9643 .035 |
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ClS14 .760 .1602 .2492 .0357 .035 |
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S15 .369 .0606 .5512 .9643 .031 |
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ClS15 .369 .0606 .5512 .0357 .031 |
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S16 .935 .0615 .5523 .9643 .035 |
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ClS16 .935 .0615 .5523 .0357 .035 |
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S17 .621 .9818 .5659 .9643 .038 |
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ClS17 .621 .9818 .5659 .0357 .038 |
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S18 .808 .0180 .4326 .9643 .026 |
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ClS18 .808 .0180 .4326 .0357 .026 |
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S19 .756 .0350 .6684 .9643 .040 |
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ClS19 .756 .0350 .6684 .0357 .040 |
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S20 .160 .0345 .6696 .9643 .035 |
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ClS20 .160 .0345 .6696 .0357 .035 |
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S21 .263 .2285 .6726 .9643 .026 |
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ClS21 .263 .2285 .6726 .0357 .026 |
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S22 .660 .2280 .6722 .9643 .028 |
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ClS22 .660 .2280 .6722 .0357 .028 |
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S23 .392 .2273 .4410 .9643 .030 |
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ClS23 .392 .2273 .4410 .0357 .030 |
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S24 .798 .2259 .4406 .9643 .028 |
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ClS24 .798 .2259 .4406 .0357 .028 |
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S25 .358 .1844 .5599 .9643 .032 |
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ClS25 .358 .1844 .5599 .0357 .032 |
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S26 .952 .1856 .5605 .9643 .031 |
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ClS26 .952 .1856 .5605 .0357 .031 |
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S27 .926 .1563 .6817 .9643 .034 |
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ClS27 .926 .1563 .6817 .0357 .034 |
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S28 .508 .1526 .6830 .9643 .031 |
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ClS28 .508 .1526 .6830 .0357 .031 |
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Cl1 .5 .0372 .75 .032 |
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Cl2 0 .2259 .75 .034 |
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Cl3 .2420 .1024 .7423 .029 |
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