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Sartorite |
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Berlepsch P, Armbruster T, Makovicky E, Topa D |
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American Mineralogist 88 (2003) 450-461 |
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Another step toward understanding the true nature of sartorite: |
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Determination and refinement of a ninefold superstructure |
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_database_code_amcsd 0002988 |
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37.71 7.898 20.106 90 101.993 90 P2_1/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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Pb1 .11812 .06199 .31086 .0540 .0477 .0568 .0562 -.0069 .0081 -.0040 |
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Pb2 .23129 .08379 .31078 .0599 .0549 .0565 .0731 .0134 .0243 .0047 |
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Pb3 .34273 -.59717 -.18503 .0514 .0440 .0579 .0511 .0050 .0068 -.0009 |
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Pb4 .45338 .09418 .31461 .0568 .0473 .0461 .0815 -.0002 .0233 .0013 |
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Pb5 .43835 .64077 .18296 .0533 .0390 .0641 .0571 -.0012 .0107 -.0053 |
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Pb6 .33030 -.40497 .20582 .0488 .0395 .0475 .0587 .0047 .0083 -.0047 |
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Pb7 .21828 -.41642 .20383 .0613 .0420 .0603 .0830 -.0081 .0158 -.0065 |
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Pb8 -.10761 .07053 .29305 .0553 .0446 .0538 .0684 -.0090 .0139 -.0078 |
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Pb9 .00536 .07666 .29546 .0533 .0515 .0526 .0606 .0141 .0224 .0094 |
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As1 .14473 -.1612 .50326 .0409 .0350 .0437 .0434 .0000 .0064 .0062 |
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As2 -.14122 .4970 .37925 .0383 .0373 .0384 .0403 .0025 .0101 -.0036 |
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As3 .23534 -.1793 .48906 .0439 .0441 .0476 .0403 -.0098 .0095 -.0078 |
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As4 .26684 -.0059 .13459 .0415 .0367 .0423 .0422 .0015 .0009 -.0037 |
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Pb5a .36331 -.2758 -.0178 .318 .0407 |
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As5b .36549 -.3088 -.0044 .682 .0486 |
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As6 .36103 .0221 .11955 .0454 .0537 .0401 .0448 .0008 .0158 .0017 |
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As7 .46747 .7081 .01033 .0481 .0391 .0606 .0448 .0003 .0090 .0008 |
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As8 .49761 .0354 .13258 .0421 .0377 .0392 .0487 .0031 .0074 -.0005 |
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As9a .4085 -.7093 .0103 .67 .057 .076 .045 .059 .001 .032 -.002 |
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As9b .4224 -.6619 .0197 .33 .022 .011 .016 .036 -.012 -.002 -.005 |
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As10 .40337 .5095 .36345 .0421 .0381 .0453 .0423 .0012 .0070 .0047 |
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As11 .30861 .1850 .49187 .0378 .0374 .0409 .0347 .0055 .0068 .0009 |
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As12 .28781 .5218 .38204 .0678 .118 .0452 .0497 -.0336 .0392 -.0138 |
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Pb13a .19864 .2524 .5261 .218 .0376 .042 .027 .045 -.007 .012 -.005 |
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As13b .20500 .1935 .5417 .782 .0515 .046 .037 .078 .0021 .028 .015 |
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As14 .18075 .4819 .36831 .0391 .0308 .0448 .0404 .0008 .0044 .0032 |
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As15 .07986 .1697 .49597 .0440 .0349 .0440 .0488 -.0001 -.0008 .0082 |
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As16 .07553 .4960 .38595 .0485 .0631 .0360 .0404 .0023 -.0029 -.0027 |
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As17 .01729 -.1830 .47361 .0542 .0559 .0583 .0452 .0082 .0028 -.0035 |
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As18 .04364 -.0260 .13245 .0367 .0326 .0374 .0388 -.0002 .0045 -.0060 |
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S1 .05914 .3548 .2860 .0369 .035 .037 .037 -.0041 .002 -.004 |
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S2 .06506 -.0469 .4188 .0513 .059 .037 .055 -.005 .003 .003 |
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S3 -.10464 .2996 .4432 .0413 .034 .049 .040 .000 .007 .007 |
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S4 .09407 .1477 .1533 .0364 .035 .033 .042 -.0021 .009 .001 |
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S5 .17148 .3363 .2698 .0446 .037 .038 .057 -.002 .007 -.011 |
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S6 .19372 .0068 .4287 .0415 .048 .045 .033 -.002 .012 .000 |
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S7 .19347 -.3325 .5384 .0495 .034 .044 .071 -.003 .012 .006 |
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S8 .22449 .1691 .1605 .0440 .039 .045 .047 .001 .006 -.001 |
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S9 .28301 .3747 .2853 .0378 .038 .037 .039 .0022 .009 -.001 |
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S10 .30124 -.0384 .4208 .0483 .055 .036 .056 -.002 .017 .001 |
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S11 .32402 -.1802 .0648 .0640 .074 .048 .063 -.006 -.004 -.011 |
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S12 .31640 .1724 .1581 .0404 .043 .028 .050 -.003 .009 .003 |
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S13 .39195 .3540 .2686 .0462 .037 .040 .059 .004 .006 -.008 |
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S14 .40903 -.5148 -.0741 .0431 .042 .048 .040 -.007 .009 -.002 |
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S15 .42766 .8592 .0598 .0519 .055 .042 .065 .009 .026 .008 |
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S16 .49967 .8788 .2270 .0504 .049 .053 .050 -.012 .013 .000 |
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S17 .47646 .4724 .0782 .0477 .047 .042 .059 .006 .022 .003 |
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S18 .52090 .8488 .0661 .0444 .043 .048 .041 .001 .006 .002 |
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S19 .55163 .1855 .1625 .0409 .038 .039 .046 -.004 .009 -.001 |
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S20 .38472 -.1184 .2156 .0444 .039 .043 .050 .004 .006 .001 |
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S21 .37864 -.5356 .0741 .0413 .037 .041 .044 -.005 .004 .001 |
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S22 .34784 .3424 .4425 .0436 .043 .037 .052 -.002 .011 .003 |
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S23 .35571 .6851 .3407 .0426 .039 .041 .048 -.001 .010 -.004 |
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S24 .27767 -.1522 .2326 .0402 .032 .038 .052 .0004 .011 .002 |
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S25 .25394 .0133 .5763 .0378 .037 .039 .037 -.003 .004 -.001 |
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S26 .25844 .3409 .4415 .0427 .030 .046 .053 .005 .009 .012 |
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S27 .22385 .6686 .3448 .0388 .040 .037 .037 .002 .001 -.006 |
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S28 -.16240 .3520 .2827 .0397 .034 .039 .046 -.002 .006 -.004 |
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S29 .15915 .0510 .5842 .0440 .044 .040 .047 .007 .004 .006 |
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S30 .11955 .3154 .4432 .0439 .035 .052 .043 .002 .006 .007 |
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S31 -.13158 .1553 .1522 .0400 .042 .039 .039 .000 .008 .002 |
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S32 -.05376 .3321 .2670 .0398 .035 .038 .046 .002 .008 -.004 |
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S33 -.02922 -.0020 .4273 .0363 .036 .042 .031 -.004 .006 .001 |
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S34 .03377 .3475 .4558 .068 .035 .048 .116 .001 .003 .022 |
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S35 .00347 .1617 .1550 .0365 .036 .037 .036 .004 .009 .002 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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