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Tazieffite |
| |
Zelenski M, Garavelli A, Pinto D, Vurro F, Moelo Y, Bindi L, Makovicky E, Bonaccorsi E |
| |
American Mineralogist 94 (2009) 1312-1324 |
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Tazieffite, Pb20Cd2(As,Bi)22S50Cl10, a new chloro-sulfosalt from Mutnovsky |
|
volcano, Kamchatka Peninsula, Russian Federation |
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Locality: Mutnovsky volcano, Kamchatka Peninsula, Russian Federation |
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_database_code_amcsd 0004974 |
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8.3520 45.592 27.261 90 98.84 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) |
|
Pb1 .38646 .12162 .51217 .05115 .04749 .0488 .0572 .00069 .0083 .00023 |
|
Pb2 .8868 .12146 .51230 .04908 .04614 .04637 .0547 .00092 .0075 .00030 |
|
Pb3 .31117 .07257 .37217 .05053 .04770 .04788 .05684 .00032 .0106 -.0005 |
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Pb4 .81076 .07236 .37239 .05117 .04874 .0485 .05700 .0003 .0106 -.00012 |
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Pb5 .31093 .17319 .37403 .05006 .04664 .0469 .05657 -.00001 .0077 -.0005 |
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Pb6 .80952 .17349 .37463 .05353 .05015 .05042 .05978 .00018 .0077 -.00028 |
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Pb7 .7462 .98784 .74961 .05196 .04893 .04915 .05766 .00035 .0078 -.00007 |
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Pb8 .74433 .23103 .24995 .06360 .05955 .0612 .0695 -.0003 .0080 -.00015 |
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Pb9 .96003 .08875 .66171 .94 .05919 .05525 .05671 .0655 .00076 .0089 .00070 |
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N9 .96003 .08875 .66171 .06 .05919 .05525 .05671 .0655 .00076 .0089 .00070 |
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H9 .96003 .08875 .66171 .06 .05919 .05525 .05671 .0655 .00076 .0089 .00070 |
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H9 .96003 .08875 .66171 .06 .05919 .05525 .05671 .0655 .00076 .0089 .00070 |
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H9 .96003 .08875 .66171 .06 .05919 .05525 .05671 .0655 .00076 .0089 .00070 |
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H9 .96003 .08875 .66171 .06 .05919 .05525 .05671 .0655 .00076 .0089 .00070 |
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Pb10 .45838 .08941 .66388 .94 .06112 .05731 .0585 .0671 .00025 .0082 -.00022 |
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N10 .45838 .08941 .66388 .06 .06112 .05731 .0585 .0671 .00025 .0082 -.00022 |
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H10 .45838 .08941 .66388 .06 .06112 .05731 .0585 .0671 .00025 .0082 -.00022 |
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H10 .45838 .08941 .66388 .06 .06112 .05731 .0585 .0671 .00025 .0082 -.00022 |
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H10 .45838 .08941 .66388 .06 .06112 .05731 .0585 .0671 .00025 .0082 -.00022 |
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H10 .45838 .08941 .66388 .06 .06112 .05731 .0585 .0671 .00025 .0082 -.00022 |
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Cd1a 0 .12313 .25 .5 .05858 .0531 .0572 .0654 .00000 .0091 .00000 |
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Pb1b 0 .12313 .25 .2 .05858 .0531 .0572 .0654 .00000 .0091 .00000 |
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Sn1c 0 .12313 .25 .3 .05858 .0531 .0572 .0654 .00000 .0091 .00000 |
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Cd2a .5 .12322 .25 .5 .05747 .0546 .05526 .0627 .00000 .0094 .00000 |
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Pb2b .5 .12322 .25 .3 .05747 .0546 .05526 .0627 .00000 .0094 .00000 |
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Sn2c .5 .12322 .25 .2 .05747 .0546 .05526 .0627 .00000 .0094 .00000 |
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As11 .24526 .15307 .75122 .67 .05100 .0492 .04725 .05673 .00115 .0087 .00108 |
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Bi11 .2413 .17680 .74583 .33 .05100 .0492 .04725 .05673 .00115 .0087 .00108 |
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As1b .56454 .25498 .37431 .29 .05216 .0487 .04884 .05880 -.0001 .0077 .00018 |
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Bi1a .56454 .25498 .37431 .71 .05216 .0487 .04884 .05880 -.0001 .0077 .00018 |
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As1 .43461 .24664 .62661 .06996 .0662 .0634 .0797 .0010 .0090 .0016 |
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Bi2a .12308 .20938 .49898 .69 .05872 .05526 .05570 .06461 .00035 .0073 .00089 |
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As2b .12308 .20938 .49898 .31 .05872 .05526 .05570 .06461 .00035 .0073 .00089 |
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As2a .6236 .20835 .49001 .63 .06399 |
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Bi2b .6172 .20835 .49773 .37 .06399 |
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As3a .1905 .1660 .61939 .79 .05898 |
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Bi3b .1912 .17298 .62680 .21 .05898 |
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Bi4a .67961 .16706 .61994 .62 .05053 .04805 .04757 .05617 .00168 .00861 -.00083 |
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As4b .67961 .16706 .61994 .38 .05053 .04805 .04757 .05617 .00168 .00861 -.00083 |
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As5a .12372 .0450 .50404 .69 .06210 |
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Bi5b .1210 .0398 .49889 .31 .06210 |
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Bi6a .62272 .04079 .49918 .57 .06062 .05862 .05731 .06686 .0020 .0126 -.00092 |
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As6b .62272 .04079 .49918 .43 .06062 .05862 .05731 .06686 .0020 .0126 -.00092 |
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As7a .9346 .00891 .62961 .83 .0601 |
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Bi7b .9357 .00445 .61602 .17 .0601 |
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Bi8a .43260 .00658 .62309 .61 .06155 .05838 .05853 .06794 .00008 .0103 -.00051 |
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As8b .43260 .00658 .62309 .39 .06155 .05838 .05853 .06794 .00008 .0103 -.00051 |
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S1 .1574 .11787 .59346 .0732 .0707 .0753 .0750 -.0063 .0153 -.0038 |
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S2 .6610 .11471 .58893 .0748 .0697 .0750 .0800 -.0046 .0125 -.0048 |
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S3 .0888 .08674 .45222 .0666 .0608 .0634 .0721 -.0076 -.0011 -.0039 |
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S4 .5907 .08786 .4529 .0630 .0612 .0582 .0672 -.0098 .0025 -.0035 |
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S5 .0972 .1612 .4522 .0642 .0577 .0595 .0753 .0086 .0096 .0029 |
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S6 .5963 .16110 .45543 .0661 .0569 .0632 .0775 .0056 .0082 .0041 |
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S7 .4607 .2919 .67188 .0534 .0480 .0508 .0577 -.0092 -.0040 .0004 |
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S8 .5405 .2078 .32414 .0527 .0461 .0514 .0574 -.0088 -.0018 -.0018 |
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S9 .0355 .12354 .34308 .4 .0490 .0481 .0454 .0563 -.0023 .0164 .0000 |
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Cl9 .0355 .12354 .34308 .6 .0490 .0481 .0454 .0563 -.0023 .0164 .0000 |
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S10 .5304 .12330 .34359 .4 .0404 .0406 .0354 .0469 -.0017 .0125 -.0025 |
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Cl10 .5304 .12330 .34359 .6 .0404 .0406 .0354 .0469 -.0017 .0125 -.0025 |
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S11 .0391 .03780 .32592 .0518 .0442 .0459 .0594 .0037 -.0109 -.0018 |
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S12 .4645 .9617 .67697 .0572 .0474 .0520 .0655 .0063 -.0129 .0003 |
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S13 .75859 .08595 .24962 .4 .0627 .0635 .0512 .0691 .0010 -.0031 .0003 |
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Cl13 .75859 .08595 .24962 .6 .0627 .0635 .0512 .0691 .0010 -.0031 .0003 |
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S14 .75627 .16051 .25043 .4 .0640 .0625 .0526 .0726 .0030 -.0030 -.0018 |
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Cl14 .75627 .16051 .25043 .6 .0640 .0625 .0526 .0726 .0030 -.0030 -.0018 |
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S15 .3891 .0611 .55286 .0570 .0533 .0561 .0612 .0012 .0080 .0041 |
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S16 .92039 .0622 .5552 .0588 .0578 .0547 .0641 .0020 .0097 .0031 |
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S17 .62375 .9795 .56392 .0496 .0455 .0516 .0541 .0026 .0156 -.0003 |
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S18 .8454 .02004 .43555 .0642 .0654 .0611 .0711 -.0007 .0260 -.0015 |
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S19 .7202 .03151 .66812 .7 .0552 .0594 .0506 .0565 .0001 .0118 .0034 |
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Cl19 .7202 .03151 .66812 .3 .0552 .0594 .0506 .0565 .0001 .0118 .0034 |
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S20 .16455 .0322 .6688 .0507 .0484 .0473 .0574 .0038 .0109 .0001 |
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S21 .24528 .22647 .6700 .0617 .0613 .0590 .0654 .0002 .0116 .0028 |
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S22 .67252 .22546 .6697 .0613 .0611 .0561 .0667 -.0031 .0104 .0028 |
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S23 .383058 .22729 .4391 .0548 .0510 .0578 .0580 .0019 .0159 -.0030 |
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S24 .8333 .22672 .4404 .0685 .0633 .0667 .0732 -.0009 .0034 -.0020 |
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S25 .37343 .184088 .56052 .0505 .0488 .0484 .0560 -.0057 .0133 -.0043 |
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S26 .93754 .1855 .56139 .0576 .0586 .0561 .0579 -.0007 .0080 -.0050 |
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S27 .93119 .15955 .69259 .0690 .0683 .0659 .0773 .0018 .0258 .0030 |
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S28 .49753 .1543 .69639 .0529 .0422 .0502 .0667 -.0001 .0097 .008 |
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Cl29 .5 .03412 .75 .0593 .0589 .0600 .0594 .00000 .0106 .00000 |
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Cl30 0 .22146 .75 .0672 .0625 .0619 .0770 .00000 .0102 .00000 |
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S31 .24678 .10002 .74732 .7 .0594 .0536 .0567 .0681 -.0008 .0097 .0004 |
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Cl31 .24678 .10002 .74732 .3 .0594 .0536 .0567 .0681 -.0008 .0097 .0004 |
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|
| Download AMC data (View Text File)
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Nuffieldite |
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Moelo Y, Meerschaut A, Makovicky E |
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The Canadian Mineralogist 35 (1997) 1497-1508 |
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Refinement of the crystal structure of nuffieldite, Pb2Cu1.4(Pb.4Bi.4Sb.2)Bi2S7: |
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Structural relationships and genesis of complex lead sulfosalt structures |
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_database_code_amcsd 0005532 |
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14.4949 21.4195 4.0420 90 90 90 Pbnm |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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PbM1 .1558 .1955 .25 .030 .034 .0119 -.009 0 0 |
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BiM2 .3905 .33299 .25 .0174 .0171 .0099 .0022 0 0 |
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PbM3 .6326 .0239 .25 .032 .044 .0250 -.013 0 0 |
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BiM4 .6000 .4709 .25 .39 .022 .026 .0136 .001 0 0 |
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PbM4 .6000 .4709 .25 .37 .022 .026 .0136 .001 0 0 |
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SbM4 .6000 .4709 .25 .24 .022 .026 .0136 .001 0 0 |
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BiM5 .9540 .34229 .25 .0187 .0226 .0103 .0006 0 0 |
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Cu1 .6718 .1722 .25 2.0 |
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Cu2 .281 .0696 .25 .37 1.9 |
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S1 .5186 .2437 .25 1.0 |
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S2 .0067 .1109 .25 1.2 |
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S3 .4429 .0634 .25 1.1 |
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S4 .8006 .2311 .25 .9 |
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S5 .1290 .3708 .25 1.0 |
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S6 .7269 .3879 .25 1.4 |
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S7 .3108 .4709 .25 1.7 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Pretulite |
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Moelo Y, Lulzac Y, Rouer O, Palvadeau P, Gloaguen E, Leone P |
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The Canadian Mineralogist 40 (2002) 1657-1673 |
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Scandium mineralogy: pretulite with scandian zircon and xenotime-(Y) |
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with an apatite-rich oolitic ironstone from Saint-Aubin-des-Chateaux, |
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Armorican Massif, France |
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Locality: Saint-Aubin-des-Chateaux, Armorican Massif, France |
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_database_code_amcsd 0005799 |
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6.5870 6.5870 5.809 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z occ Uiso |
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Sc 0 .75 .125 .904 .009 |
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Y 0 .75 .125 .032 .009 |
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Yb 0 .75 .125 .016 .009 |
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Zr 0 .75 .125 .048 .009 |
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P 0 .25 .375 .952 .007 |
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Si 0 .25 .375 .048 .007 |
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O .1806 .75 .436 .009 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Rouxelite |
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Orlandi P, Meerschaut A, Moelo Y, Palvadeau P, Leone P |
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The Canadian Mineralogist 43 (2005) 919-933 |
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Lead-antimony sulfosalts from Tuscany (Italy). VIII. Rouxelite, Cu2HgPb22Sb28S64(O,S)2, |
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A new sulfosalt from Buca Della Vena mine, Apuan Alps: definition and crystal structure |
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Locality: Buca Della Vena mine, Apuan Alps |
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_database_code_amcsd 0006020 |
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43.113 4.0591 37.874 90 117.35 90 C2/m |
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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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Hg 0 0 0 .032 .036 .031 .029 0 .013 0 |
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Cu .0792 0 .1719 .030 |
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Pb1 .4860 0 .0926 .029 .030 .020 .034 0 .012 0 |
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Pb2 .3853 0 .0914 .028 .026 .022 .036 0 .014 0 |
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Pb3 .2942 0 .0992 .034 .040 .029 .034 0 .018 0 |
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Pb4 .2607 0 .1923 .033 .032 .025 .048 0 .023 0 |
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Pb5 .1566 0 .1858 .035 .028 .037 .040 0 .014 0 |
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Pb6 .2466 0 .3051 .035 .036 .029 .038 0 .015 0 |
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Pb7 .3149 0 .4278 .029 .025 .028 .036 0 .015 0 |
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Pb8 .3968 0 .5500 .033 .025 .036 .038 0 .015 0 |
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Pb9 .5208 0 .3187 .034 .042 .030 .037 0 .023 0 |
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Sb1 .0977 0 .9955 .028 .021 .033 .027 0 .009 0 |
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Sb2 .1971 0 .0028 .033 .035 .028 .032 0 .011 0 |
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Sb3 .1779 .5 .0957 .026 .029 .027 .022 0 .010 0 |
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Sb4 .0799 .5 .0851 .030 .030 .030 .031 0 .014 0 |
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Sb5 .1473 .5 .2825 .032 .024 .053 .020 0 .010 0 |
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Sb6 .2213 .5 .3940 .021 .011 .022 .032 0 .011 0 |
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Sb7 .3021 .5 .5162 .044 .046 .030 .081 0 .049 0 |
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Sb8 .3816 .5 .6377 .034 .034 .040 .036 0 .023 0 |
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Sb9 .4584 .083 .4991 .5 .037 .029 .040 .040 -.003 .015 -.010 |
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Sb10 .3309 .5 .3008 .059 .024 .044 .084 0 .004 0 |
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Sb11 .3526 .5 .2019 .052 .034 .034 .064 0 .001 0 |
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Sb12 .4466 .5 .2121 .041 .029 .058 .034 0 .013 0 |
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Pb13 .3925 .5 .3991 .78 .050 .042 .059 .060 0 .032 0 |
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Sb13 .3925 .5 .3991 .22 .050 .042 .059 .060 0 .032 0 |
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Pb14 .4827 0 .4031 .50 .047 |
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Sb14 .4778 .112 .4002 .25 .047 |
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Pb15 .4145 .5 .3003 .574 .045 |
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Sb15 .4270 .467 .3020 .213 .045 |
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Pb16 .5394 0 .2216 .452 .023 |
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Sb16 .5258 0 .2058 .548 .023 |
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S1 .1459 .5 .9943 .059 |
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S2 .0557 .5 .9917 .042 |
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S3 .0247 0 .0706 .022 |
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S4 .1223 0 .0930 .030 |
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S5 .2145 0 .0962 .029 |
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S6 .1994 .5 .167 .033 |
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S7 .2687 .5 .2582 .018 |
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S8 .1881 .5 .2543 .013 |
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S9 .0981 .5 .1573 .030 |
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S10 .1101 0 .2432 .036 |
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S11 .1900 0 .3435 .045 |
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S12 .2701 .5 .3738 .016 |
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S13 .2643 0 .4573 .037 |
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S14 .3469 .5 .4939 .032 |
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S15 .3386 0 .5728 .038 |
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S16 .4114 0 .6853 .035 |
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S17 .4255 .5 .6138 .023 |
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S18 .4487 .5 .5414 .046 |
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S19 .3959 0 .4512 .041 |
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S20 .4616 .5 .4444 .020 |
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S21 .3241 0 .3452 .031 |
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S22 .4141 0 .3554 .034 |
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S23 .4820 .5 .3549 .038 |
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S24 .3384 0 .2471 .038 |
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S25 .4375 0 .2666 .054 |
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S26 .5113 .5 .2607 .028 |
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S27 .2915 .5 .1551 .024 |
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S28 .3623 0 .1592 .027 |
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S29 .4577 0 .1738 .035 |
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S30 .5240 .5 .1629 .031 |
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S31 .3292 .5 .0719 .022 |
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S32 .4298 .5 .0776 .021 |
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S33 .234 .5 .018 .33 .034 |
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O33 .205 .5 .006 .67 .034 |
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|
| Download AMC data (View Text File)
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|
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Dorallcharite |
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Balic-Zunic T, Moelo Y, Loncar Z, Micheelsen H |
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European Journal of Mineralogy 6 (1994) 255-263 |
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Dorallcharite, Tl0.8K0.2Fe3(SO4)2(OH)6, a new |
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member of the jarosite-alunite family |
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_database_code_amcsd 0006535 |
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7.3301 7.3301 17.6631 90 90 120 R-3m |
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atom x y z occ Biso |
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Tl 0 0 0 .80 4.6 |
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K 0 0 0 .20 4.6 |
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Fe 0 .5 .5 4.4 |
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S 0 0 .3104 4.7 |
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O1 0 0 .389 2.2 |
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O2 .228 -.228 .938 5.7 |
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OH .1372 -.1372 .1344 3.4 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Scainiite |
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Moelo Y, Meerschaut A, Orlandi P, Palvadeau P |
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European Journal of Mineralogy 12 (2000) 835-846 |
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Lead-antimony sulfosalts from Tuscany (Italy): |
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II - Crystal structure of scainiite, Pb14Sb30S54O5, |
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an expanded monoclinic derivative of Ba12Bi24S48 |
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hexagonal sub-type (zinkenite group) |
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Locality: Tuscany, Italy |
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_database_code_amcsd 0006839 |
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51.996 8.148 24.311 90 104.09 90 C2/m |
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atom x y z occ Uiso |
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Pb1 .0865 0 .5547 1/3 .047 |
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Sb1 .0865 0 .5547 2/3 .047 |
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Pb2 .0889 1/2 .5547 2/3 .037 |
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Sb2 .0889 1/2 .5547 1/3 .037 |
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Pb3 .1450 0 .4616 2/3 .031 |
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Sb3 .1450 0 .4616 1/3 .031 |
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Pb4 .1469 1/2 .4659 1/3 .030 |
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Sb4 .1469 1/2 .4659 2/3 .030 |
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Pb5 .1044 0 .7367 .030 |
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Sb5 .1032 1/2 .7553 .028 |
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Sb6 .5281 0 .8069 .018 |
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Pb6 .5363 1/2 .8044 .027 |
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Pb7 .3592 0 .8647 .033 |
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Pb8 .3586 1/2 .8694 .028 |
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Pb9 .3201 0 .6790 .029 |
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Pb10 .3177 1/2 .6780 .028 |
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Pb11 .2717 0 .8101 .030 |
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Pb12 .2701 1/2 .8049 .034 |
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Pb13 .4141 0 .0298 .023 |
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Pb14 .4120 1/2 .0279 .030 |
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Pb15 .1874 0 .7808 .031 |
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Pb16 .1878 1/2 .7805 .027 |
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Sb7 .1478 .2335 .8861 .041 |
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Sb8 .2331 .2626 .9228 .043 |
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Sb9 .3152 .2401 .9656 .041 |
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Sb10 .2437 .2428 .6479 .045 |
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Sb11 .2851 .2583 .5217 .053 |
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Sb12 .3283 .2428 .3801 .030 |
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Sb13 .3916 .2556 .7405 .029 |
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Sb14 .4361 .2427 .8998 .039 |
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Sb15 .4863 .2617 .0644 .038 |
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Sb16 .4598 .2517 .7580 .025 |
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Sb17 .4349 0 .6379 .020 |
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Sb18 .4385 1/2 .6402 .023 |
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Sb19 .4759 .2375 .5412 .050 |
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Sb20 .4554 .2799 .3482 .029 |
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O1 .4487 0 .7224 .045 |
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O2 .4557 1/2 .7311 .003 |
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O3 .4500 1/2 .3133 .005 |
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O4 .4422 .2560 .6719 .047 |
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S1 .1483 0 .6519 .025 |
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S2 .1492 1/2 .6594 .036 |
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S3 .2664 0 .5838 .028 |
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S4 .2701 1/2 .5830 .034 |
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S5 .1899 0 .9001 .027 |
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S6 .1930 1/2 .9032 .032 |
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S7 .4809 0 .6180 .013 |
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S8 .4828 1/2 .6206 .036 |
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S9 .1930 0 .5360 .019 |
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S10 .1928 1/2 .5378 .037 |
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S11 .2268 0 .6973 .020 |
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S12 .2248 1/2 .6990 .029 |
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S13 .1124 0 .8630 .017 |
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S14 .1113 1/2 .8614 .039 |
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S15 .5340 0 .5438 .025 |
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S16 .5357 1/2 .5499 .026 |
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S17 .2720 0 .9380 .038 |
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S18 .2685 1/2 .9387 .027 |
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S19 .3788 0 .6708 .040 |
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S20 .3794 1/2 .6734 .025 |
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S21 .3476 0 .9863 .022 |
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S22 .3512 1/2 .9863 .026 |
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S23 .4139 0 .8305 .036 |
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S24 .4143 1/2 .8309 .031 |
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S25 .5080 0 .1397 .030 |
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S26 .5060 1/2 .1361 .022 |
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S27 .4585 0 .9827 .035 |
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S28 .4609 1/2 .9865 .034 |
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S29 .3275 .2495 .5915 .024 |
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S30 .3143 .2505 .8657 .025 |
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S31 .3506 .2524 .7686 .020 |
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S32 .4472 .2479 .1020 .020 |
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S33 .2315 .2479 .8227 .025 |
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S34 .2848 .2477 .7201 .020 |
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S35 .3971 .2522 .9397 .024 |
|
S36 .1337 .2512 .5328 .029 |
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S37 .0887 .2452 .6347 .028 |
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S38 .0713 .2431 .4687 .023 |
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S39 .3515 .2527 .2142 .024 |
|
S40 .4308 .2158 .2427 .023 |
|
S41 .4957 .2319 .2575 .021 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Gramaccioliite-(Y) |
| |
Orlandi P, Pasero M, Rotiroti N, Olmi F, Demartin F, Moelo Y |
| |
European Journal of Mineralogy 16 (2004) 171-175 |
|
Gramaccioliite-(Y), a new mineral of the crichtonite group from Stura Valley, Piedmont, Italy |
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Locality: the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy |
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_database_code_amcsd 0007033 |
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9.186 9.186 9.186 68.82 68.82 68.82 R-3 |
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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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Pb0 0 0 0 .60 .0319 .0283 .0283 .0283 -.0035 -.0035 -.0035 |
|
Sr0 0 0 0 .30 .0319 .0283 .0283 .0283 -.0035 -.0035 -.0035 |
|
Y1 .5 .5 .5 .48 .0084 .0092 .0092 .0092 -.0033 -.0033 -.0033 |
|
Mn1 .5 .5 .5 .34 .0084 .0092 .0092 .0092 -.0033 -.0033 -.0033 |
|
Ce1 .5 .5 .5 .12 .0084 .0092 .0092 .0092 -.0033 -.0033 -.0033 |
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U1 .5 .5 .5 .06 .0084 .0092 .0092 .0092 -.0033 -.0033 -.0033 |
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Fe2 .3096 .3096 .3096 .0120 .0116 .0116 .0116 -.0027 -.0027 -.0027 |
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Fe3 .3483 .1260 .0204 .0128 .0130 .0140 .0136 -.0035 -.0040 -.0058 |
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Ti4 .3088 .7192 .1480 .0109 .0119 .0106 .0108 -.0035 -.0012 -.0048 |
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Ti5 .4738 .0807 .6423 .0110 .0096 .0122 .0126 -.0038 -.0020 -.0047 |
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O1 .302 .629 .377 .014 |
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O2 .150 .238 .937 .011 |
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O3 .919 .461 .302 .009 |
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O4 .144 .515 .991 .009 |
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O5 .386 .487 .137 .007 |
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O6 .705 .242 .070 .011 |
|
O7 .2149 .2149 .2149 .012 |
|
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| |
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Pellouxite |
| |
Palvadeau P, Meerschaut A, Orlandi P, Moelo Y |
| |
European Journal of Mineralogy 16 (2004) 845-855 |
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Lead-antimony sulfosalts from Tuscany (Italy). VII. Crystal structure of |
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pellouxite, ~ (Cu,Ag)2Pb21Sb23S55ClO, an expanded monoclinic derivative |
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of Ba12Bi24S48 hexagonal sub-type (zinkenite group) |
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Locality: Tuscany, Italy |
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_database_code_amcsd 0007082 |
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55.824 4.0892 24.128 90 113.14 90 C2/m |
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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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Cu1 .1382 0 .1842 .68 .043 .055 .055 .026 0 .024 0 |
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Ag1 .1473 0 .1853 .26 .043 .055 .055 .026 0 .024 0 |
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Pb1 .1054 0 .2782 .028 .032 .026 .031 0 .017 0 |
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Pb2 .1074 0 .6028 .023 .027 .026 .016 0 .008 0 |
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Pb3 -.0640 0 .1252 .030 .025 .044 .024 0 .011 0 |
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Pb4 .2736 .5 .2089 .023 .030 .019 .026 0 .018 0 |
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Pb5 .0179 0 .2220 .029 .024 .032 .025 0 .002 0 |
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Pb6 .1860 .5 .1508 .037 .033 .044 .034 0 .013 0 |
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Pb7 .0703 0 .4149 .031 .050 .027 .018 0 .014 0 |
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Pb8 .2476 .5 .3508 .035 .040 .041 .029 0 .017 0 |
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Pb9 .1449 0 -.0372 .035 .020 .032 .048 0 .007 0 |
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Pb10 .1495 0 .7864 .5 .024 .015 .025 .021 0 -.004 0 |
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Sb10 .1427 0 .7911 .5 .024 .015 .025 .021 0 -.004 0 |
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Pb11 .1027 .5390 .0524 .22 .031 .030 .051 .012 -.015 .008 -.011 |
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Sb11 .0994 .5680 .0389 .28 .031 .030 .051 .012 -.015 .008 -.011 |
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Pb12 .2853 0 .5191 .5 .042 .052 .057 .032 0 .032 0 |
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Sb12 .2850 0 .5052 .5 .042 .052 .057 .032 0 .032 0 |
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Sb1 .1805 .5 .6182 .025 .020 .034 .022 0 .011 0 |
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Sb2 .1426 .5 .4496 .039 .021 .063 .024 0 -.001 0 |
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Sb3 .2214 0 .0544 .029 .025 .036 .015 0 -.002 0 |
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Sb4 .0774 .5 .7161 .038 .025 .058 .033 0 .015 0 |
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Sb5 .0367 .5 .5258 .038 .030 .044 .050 0 .026 0 |
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Sb6 -.0066 .5 .3436 .031 .026 .045 .028 0 .019 0 |
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Sb7 .2992 .0540 .0877 .5 .016 .023 .010 .012 -.007 .005 -.002 |
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Sb8 .0566 .5770 .1208 .5 .022 .020 .031 .016 -.007 .008 -.006 |
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Sb9 -.0201 .5838 .0490 .5 .026 .023 .039 .018 -.007 .010 -.009 |
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Sb13 .1789 .5531 .3239 .5 .042 .030 .031 .040 .008 -.013 -.005 |
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S1 .1038 .5 -.0582 .024 |
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S2 .1180 .5 .6966 .019 |
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S3 .0589 .5 .2224 .019 |
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S4 .2382 0 .4323 .021 |
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S5 .2256 0 .1585 .024 |
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S6 .2724 0 .3087 .017 |
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S7 .2049 0 .5524 .026 |
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S8 .0335 .5 .3265 .018 |
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S9 .1005 .5 .3677 .018 |
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S10 .0776 .5 .5113 .018 |
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S11 .3063 0 .1939 .017 |
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S12 .0977 0 .7924 .023 |
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S13 .0890 0 .1453 .028 |
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S14 -.0228 .5 .1476 .022 |
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S15 -.0594 0 .0135 .023 |
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S16 .1413 0 .0881 .047 |
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S17 .1831 .5 .0330 .029 |
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S18 .0582 0 .6156 .030 |
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S19 .2558 .5 .0762 .027 |
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S20 .1296 0 .5017 .025 |
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S21 -.0257 0 .2688 .029 |
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S22 .1710 0 .6763 .024 |
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S23 .1379 .5 .2388 .023 |
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S24 .0153 0 .0876 .030 |
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S25 .0186 0 .4418 .038 |
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S26 .1609 0 .3794 .040 |
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S27 .1504 .5 .8733 .040 |
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S28 .1941 0 .2637 .5 .031 |
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Cl .1994 0 .2654 .5 .031 |
|
O1 .3154 .5 .0925 .5 .022 |
|
|
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|
| |
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Marrucciite |
| |
Orlandi P, Moelo Y, Campostrini I, Meerschaut A |
| |
European Journal of Mineralogy 19 (2007) 267-279 |
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Lead-antimony sulfosalts from Tuscany (Italy). IX. Marrucciite, |
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Hg3Pb16Sb18S46,a new sulfosalt from Buca della Vena mine, Apuan Alps: |
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definition and crystal structure |
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Locality: Buca della Vena mine, Apuan Alps, Tuscany, Italy |
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_database_code_amcsd 0007219 |
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48.32 4.1170 24.056 90 118.84 90 C2/m |
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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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Hg1 0 0 .5 .0242 .0272 .0279 .0170 0 .0103 0 |
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Hg2 -.12993 .5 .56857 .0316 .0452 .0353 .0259 0 .0265 0 |
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Pb1 -.02600 .5 .61767 .0233 .0301 .0222 .0249 0 .0190 0 |
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Pb2 .06881 .5 .65812 .0233 .0324 .0142 .0243 0 .0144 0 |
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Pb3 -.18617 0 .37752 .0250 .0223 .0232 .0287 0 .0118 0 |
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Pb4 .21497 .5 .26235 .0247 .0261 .0192 .0228 0 .0071 0 |
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Pb5 .11942 .5 .85218 .0201 .024 .0168 .0216 0 .0126 0 |
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Pb6 .16059 .5 .05133 .0239 .0372 .0159 .0247 0 .0198 0 |
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Pb7 .11078 .5 .16352 .0225 .023 .0208 .0294 0 .0171 0 |
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Pb8 -.0545 .5 .7468 .63 .021 .020 .0226 .028 0 .016 0 |
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Sb8 -.0458 .5 .7568 .37 .021 .020 .0226 .028 0 .016 0 |
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Pb9 .0342 0 .8194 .41 .028 .019 .0335 .047 0 .028 0 |
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Sb9 .0377 0 .8090 .59 .028 .019 .0335 .047 0 .028 0 |
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Sb1 -.0960 .0818 .46646 .5 .020 .0176 .024 .0175 -.0009 .0086 -.0015 |
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Sb2 -.23449 .5 .44876 .0295 .048 .0184 .042 0 .038 0 |
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Sb3 .17107 0 .35666 .0241 .040 .0167 .0168 0 .0150 0 |
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Sb4 .33929 .5 .24036 .0225 .0250 .0265 .0218 0 .0160 0 |
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Sb5 .20481 0 -.0425 .0322 .0187 .0186 .059 0 .0184 0 |
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Sb6 .24964 0 .15138 .0230 .0199 .0306 .0223 0 .0133 0 |
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Sb7 .07073 .044 -.0138 .5 .029 .0141 .039 .0269 .012 .0048 -.001 |
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Sb10 -.02174 .038 .9141 .5 .036 .032 .033 .026 .003 .0009 .011 |
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S1 .0190 0 .6107 .015 |
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S2 -.0555 .5 .4805 .014 |
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S3 -.0771 0 .5801 .022 |
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S4 -.1931 0 .4880 .024 |
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S5 .2167 .555 .3926 .5 .022 |
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S6 -.1278 .551 .6701 .5 .025 |
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S7 -.1386 .5 .4629 .019 |
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S8 -.2349 .5 .3455 .020 |
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S9 .1639 0 .2487 .016 |
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S10 .3560 .049 .3201 .5 .027 |
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S11 .1832 .554 .8635 .5 .033 |
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S12 .2255 .564 .0483 .5 .022 |
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S13 .2707 .5 .2305 .023 |
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S14 .3913 .5 .2426 .018 |
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S15 .1532 0 -.0448 .020 |
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S16 .1996 0 .1554 .016 |
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S17 .0479 .5 .7570 .023 |
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S18 .0010 .5 .8633 .023 |
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S19 -.0472 .542 -.0456 .5 .020 |
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S20 .0910 .534 -.0556 .5 .021 |
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S21 -.0203 0 .7225 .023 |
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S22 -.0711 0 .8130 .016 |
|
S23 .1198 0 .0861 .017 |
|
|
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|
| |
|
Levyclaudite-(Sb) |
| |
Evain M, Petricek V, Moelo Y, Maurel C |
 |
Acta Crystallographica B62 (2006) 775-789 |
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First (3+2)-dimensional superspace approach to the structure of |
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levyclaudite-(Sb), a member of the cylindrite-type minerals |
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Locality: synthetic |
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_database_code_amcsd 0009944 |
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3.6661 6.3138 11.9028 92.490 90.590 89.986 C-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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Pb .05541 .24113 .36783 .475 .03573 .0382 .03020 .0390 .00096 .00807 .00192 |
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Sb .05541 .2411 .3678 .204 .03573 .0382 .03020 .0390 .00096 .00807 .00192 |
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Sn 0 0 0 .851 .01480 .0137 .00983 .0208 .00043 .00029 .00055 |
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Cu .0029 .0057 .1147 .149 .0229 .0180 .0138 .037 .0009 .0004 .0021 |
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S1 .5033 .84278 .12342 .68 .0177 .0193 .0133 .0205 -.0005 -.0005 .0008 |
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S2 .0402 .2583 .59639 .0310 .0395 .0295 .0237 .0002 .0052 .0019 |
|
|
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|
| |
|
Gd0.957 S |
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Rouxel J, Moelo Y, Lafond A, DiSalvo F, Meerschaut A, Roesky R |
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Inorganic Chemistry 33 (1994) 3358-3363 |
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Role of vacancies in misfit layered compounds: the case of the |
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gadolinium chromium sulfide compound |
|
_cod_database_code 1005015 |
|
_database_code_amcsd 0012710 |
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5.454 5.8098 21.461 90 90 90 Cmca |
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atom x y z occ |
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Gd1 0 .1631 .17048 .957 |
|
S1 .5 .161 .1998 |
|
|
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|
| |
|
Lorandite |
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Balic-Zunic T, Makovicky E, Moelo Y |
| |
Neues Jahrbuch fur Mineralogie, Abhandlungen 168 (1995) 213-235 |
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Contributions to the crystal chemistry of thallium sulphosalts III. |
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The crystal structure of lorandite (TlAsS2) and its relation to |
|
weissbergite (TlSbS2) |
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Locality: Crven Dol, Allchar, Republic of Macedonia |
|
_database_code_amcsd 0014720 |
|
12.296 11.313 6.114 90 104.21 90 P2_1/a |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Tl1 .0523 .3121 .1628 .0273 .029 .028 .026 .003 .009 -.002 |
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Tl2 .1011 .0557 .7356 .0253 .024 .028 .025 -.004 .008 -.002 |
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As1 .1948 .8351 .227 .016 .014 .017 .015 .002 -.002 -.001 |
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As2 .1353 .5863 .534 .019 .021 .013 .024 -.002 .006 -.001 |
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S1 .122 .311 .715 .020 .012 .026 .027 .009 .013 .001 |
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S2 .151 .557 .188 .019 .031 .009 .011 .008 -.006 -.002 |
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S3 .167 .788 .575 .014 .006 .022 .017 -.002 .010 -.002 |
|
S4 .183 .039 .271 .024 .023 .014 .030 .005 -.005 .005 |
|
|
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|
| |
|
Jamesonite |
|
Leone P, Le Leuch L M, Palvadeau P, Molinie P, Moelo Y |
| |
Solid State Sciences 5 (2003) 771-776 |
|
Single crystal structures and magnetic properties of two iron or |
|
manganese-lead-antimony sulfides: MPb4Sb6S14 (M: Fe, Mn) |
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Locality: Siberia |
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_database_code_amcsd 0015519 |
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4.0235 19.074 15.737 90 91.89 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .4415 .23983 .57470 .0349 .0354 .0328 .0364 .0005 -.0001 .0005 |
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Pb2 .4638 .14056 .81770 .0376 .0352 .0437 .0340 -.0006 -.0003 .0033 |
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Sb1 .8819 .04877 .60418 .0325 .0420 .0280 .0277 -.0026 .0030 .0012 |
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Sb2 .9109 .93675 .81978 .0315 .0374 .0288 .0288 -.0020 .0072 -.0035 |
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Sb3 .8814 .15908 .36996 .0373 .0480 .0304 .0329 -.0102 -.0092 .0055 |
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Fe .5 0 0 .0359 .053 .025 .030 -.005 .009 -.004 |
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S1 .4548 .1021 .4970 .0315 |
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S2 .9492 .1591 .6826 .0293 |
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S3 .9767 .0437 .9042 .0259 |
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S4 .9301 .2691 .4479 .0293 |
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S5 .4690 .0038 .7141 .0295 |
|
S6 .4230 .2964 .7757 .0342 |
|
S7 .5126 .3937 .5812 .0323 |
|
|
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|
| |
|
Benavidesite |
|
Leone P, Le Leuch L M, Palvadeau P, Molinie P, Moelo Y |
| |
Solid State Sciences 5 (2003) 771-776 |
|
Single crystal structures and magnetic properties of two iron or |
|
manganese-lead-antimony sulfides: MPb4Sb6S14 (M: Fe, Mn) |
|
Loclaity: synthetic |
|
_database_code_amcsd 0015520 |
|
4.0216 19.178 15.837 90 91.89 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .4353 .23947 .57327 .0267 .0221 .0273 .0304 -.0013 -.0012 .0002 |
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Pb2 .4601 .14075 .81386 .0294 .0197 .0421 .0261 -.0017 -.0026 .0054 |
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Sb1 .8816 .04837 .60328 .0239 .0282 .0224 .0211 .0017 .0003 .0027 |
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Sb2 .9096 .93673 .81873 .0240 .0270 .0235 .0217 -.0020 .0048 -.0040 |
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Sb3 .8759 .15916 .36946 .0276 .0362 .0223 .0233 .0072 -.0113 -.0040 |
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Mn .5 0 0 .0226 .024 .024 .019 -.001 -.003 -.005 |
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S1 .449 .1014 .4964 .022 |
|
S2 .943 .1596 .6817 .023 |
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S3 .974 .0453 .9006 .0170 |
|
S4 .920 .2695 .4499 .0211 |
|
S5 .468 .0031 .7140 .027 |
|
S6 .412 .2966 .7750 .026 |
|
S7 .512 .3928 .5836 .0222 |
|
|
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|
| |
|
Lulzacite |
| |
Leone P, Palvadeau P, Moelo Y |
| |
Chimie de l'etat Solide et Cristallochimie 3 (2000) 301-308 |
|
Structure cristalline d'un nouvel hydroxyphosphate naturel de strontium, |
|
fer et aluminium (lulzacite), Sr2Fe(Fe0,63Mg0,37)2Al4(PO4)4(OH)10 |
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Locality: Saint-Aubin-des-Chateaux, Loire-Atlantique, France |
|
_database_code_amcsd 0018779 |
|
5.457 9.131 9.769 108.47 91.72 97.44 P-1 |
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atom x y z occ Uiso |
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Sr .1406 .7738 .4172 .96 .020 |
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Ba .1406 .7738 .4172 .04 .020 |
|
P1 .2292 .6779 .7643 .98 .010 |
|
V1 .2292 .6779 .7643 .02 .010 |
|
P2 .3018 .0717 .7247 .98 .010 |
|
V2 .3018 .0717 .7247 .02 .010 |
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FeM1 0 .5 0 .012 |
|
AlM2 .5 0 0 .010 |
|
AlM3 .5 .5 .5 .010 |
|
FeM4 .2378 .1252 .2747 .63 .005 |
|
MgM4 .2378 .1252 .2747 .37 .005 |
|
AlM5 .5126 .5750 .1627 .010 |
|
O1 .5408 .2015 .1599 .011 |
|
O2 .2210 .5354 .8203 .012 |
|
O3 .0126 .2586 .2034 .014 |
|
O4 .2618 .6233 .5995 .014 |
|
O5 .6871 .7607 .2842 .012 |
|
O6 .0514 .9848 .6445 .013 |
|
O7 .4901 .0068 .3539 .016 |
|
O8 .3107 .0830 .8855 .012 |
|
O9 .2347 .6750 .1469 .012 |
|
O10 .3667 .5216 .3210 .010 |
|
O11 .3370 .4004 .0094 .011 |
|
O12 .2225 .9450 .0842 .013 |
|
O13 .7170 .6820 .5322 .005 |
|
H1 .235 .450 .280 |
|
H2 .096 .915 .030 |
|
|
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|
| |
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