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Nagyagite |
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Effenberger H, Paar W H, Topa D, Culetto F J, Giester G |
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American Mineralogist 84 (1999) 669-676 |
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Toward the crystal structure of nagyagite, [Pb(Pb,Sb)S2][(Au,Te)] |
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_database_code_amcsd 0002222 |
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4.220 4.176 15.119 90 95.42 90 P2_1/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .16212 .25 .80260 .0351 .0325 .0371 0 .0026 0 |
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Sb2 .3578 .25 .40183 .524 .0443 .0274 .0326 0 .0087 0 |
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Pb2 .3578 .25 .40183 .476 .0443 .0274 .0326 0 .0087 0 |
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Te .7364 .25 -.00056 .867 .0518 .0357 .0286 0 .0050 0 |
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Au .7364 .25 -.00056 .133 .0518 .0357 .0286 0 .0050 0 |
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S1 .3484 .25 .2323 .025 .021 .037 0 .0080 0 |
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S2 .0744 .25 .6111 .035 .060 .026 0 .0077 0 |
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Suredaite |
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Paar W H, Miletich R, Topa D, Criddle A J, De Brodtkorb M K, Amthauer G, Tippelt G |
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American Mineralogist 85 (2000) 1066-1075 |
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Suredaite, PbSnS3, a new mineral species, from the Pirquitas Ag-Sn deposit, |
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NW-Argentina: Mineralogy and crystal structure |
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_database_code_amcsd 0002474 |
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8.8221 3.7728 14.0076 90 90 90 Pnma |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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PbA .5030 .75 .1705 .92 .0109 .0269 .0034 0 -.0001 0 |
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SnA .5030 .75 .1705 .08 .0109 .0269 .0034 0 -.0001 0 |
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SnB .1655 .25 .0521 .99 .0037 .0223 .0014 0 .0002 0 |
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FeB .1655 .25 .0521 .01 .0037 .0223 .0014 0 .0002 0 |
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S1 -.0114 .75 .1062 .0063 .017 .0015 0 -.0014 0 |
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S2 .3394 .75 -.0066 .0012 .031 .0013 0 -.0006 0 |
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S3 .2855 .25 .2132 .0075 .015 .0016 0 -.0020 0 |
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Baumstarkite |
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Effenberger H, Paar W H, Topa D, Criddle A J, Fleck M |
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American Mineralogist 87 (2002) 753-764 |
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The new mineral baumstarkite and a structural reinvestigation of |
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aramayoite and miargyrite |
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_database_code_amcsd 0002820 |
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7.766 8.322 8.814 100.62 104.03 90.22 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ag1 .10810 .42584 .14892 .0526 .0438 .0660 .0228 .0186 .0089 |
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Ag2 .29748 .07224 .84390 .0518 .0422 .0643 -.0126 .0208 .0095 |
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Ag3 .01456 .74128 .49807 .0357 .0465 .0311 .0024 .0068 .0097 |
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Sb1 .63539 .41859 .16628 .994 .0232 .0183 .0247 .0027 .0070 .0046 |
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As1 .63539 .41859 .16628 .006 .0232 .0183 .0247 .0027 .0070 .0046 |
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Sb2 .17282 .91999 .17039 .966 .0229 .0177 .0241 .0035 .0053 .0035 |
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As2 .17282 .91999 .17039 .034 .0229 .0177 .0241 .0035 .0053 .0035 |
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Sb3 .48601 .24662 .49470 .974 .0248 .0193 .0272 .0020 .0073 .0018 |
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Bi3 .48601 .24662 .49470 .026 .0248 .0193 .0272 .0020 .0073 .0018 |
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S1 .8531 .2103 .2033 .0242 .0200 .0287 .0058 .0075 .0049 |
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S2 .3751 .2545 .1731 .0237 .0241 .0251 .0002 .0063 .0057 |
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S3 .7238 .5306 .4623 .0239 .0189 .0248 .0034 .0043 .0013 |
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S4 -.0219 .7031 .1989 .0266 .0223 .0305 -.0003 .0087 .0025 |
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S5 .4430 .7655 .1869 .0252 .0219 .0254 .0064 .0072 .0051 |
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S6 .2447 .0324 .4631 .0255 .0195 .0253 .0001 .0088 .0009 |
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Aramayoite |
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Effenberger H, Paar W H, Topa D, Criddle A J, Fleck M |
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American Mineralogist 87 (2002) 753-764 |
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The new mineral baumstarkite and a structural reinvestigation of |
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aramayoite and miargyrite |
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_database_code_amcsd 0002821 |
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7.813 8.268 8.880 100.32 104.07 90.18 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ag1 .11503 .42287 .14742 .0479 .0414 .0565 .0205 .0156 .0060 |
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Ag2 .30433 .07450 .84722 .0500 .0400 .0530 -.0170 .0194 .0019 |
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Ag3 .00914 .74334 .49858 .0278 .0387 .0249 .0014 .0054 .0059 |
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Sb1 .64238 .41787 .16524 .937 .0182 .0163 .0195 .00172 .00499 .00364 |
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Bi1 .64238 .41787 .16524 .063 .0182 .0163 .0195 .00172 .00499 .00364 |
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Sb2 .16700 .91841 .16979 .963 .0174 .0165 .0193 .00243 .00389 .00267 |
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Bi2 .16700 .91841 .16979 .037 .0174 .0165 .0193 .00243 .00389 .00267 |
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Bi3 .49374 .24679 .49421 .903 .02031 .01733 .01897 .00126 .00456 .00252 |
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Sb3 .49374 .24679 .49421 .097 .02031 .01733 .01897 .00126 .00456 .00252 |
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S1 .85745 .20464 .20003 .0179 .0199 .0236 .0046 .0038 .0032 |
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S2 .38019 .25024 .16822 .0185 .0224 .0187 -.0013 .0039 .0037 |
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S3 .73044 .52180 .46193 .0199 .0190 .0189 .0011 .0035 .0007 |
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S4 -.02532 .69719 .19690 .0208 .0224 .0241 -.0021 .0053 .0031 |
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S5 .43666 .76178 .18244 .0187 .0220 .0183 .0062 .0041 .0032 |
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S6 .23938 .02194 .46306 .0208 .0198 .0185 .0012 .0053 .0001 |
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Miargyrite |
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Effenberger H, Paar W H, Topa D, Criddle A J, Fleck M |
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American Mineralogist 87 (2002) 753-764 |
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The new mineral baumstarkite and a structural reinvestigation of |
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aramayoite and miargyrite |
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_database_code_amcsd 0002822 |
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12.862 4.409 13.218 90 98.48 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ag1 0 .02945 .25 .0250 .0439 .0344 0 .0005 0 |
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Ag2 0 .5 .5 .0346 .0593 .0392 .0157 .0145 -.0106 |
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Sb .25550 -.03358 .62662 .0218 .0184 .0148 -.00022 .0464 -.00050 |
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S1 .14337 .3510 .69954 .0180 .0203 .0170 -.0005 .0041 -.0004 |
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S2 .11173 .1796 .41767 .0207 .0237 .0210 .0012 .0084 .0017 |
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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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Franckeite |
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Makovicky E, Petricek V, Dusek M, Topa D |
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American Mineralogist 96 (2011) 1686-1702 |
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The crystal structure of franckeite, Pb21.7Sn9.3Fe4.0Sb8.1S56.9 |
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Locality: San Jose, Bolivia |
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_database_code_amcsd 0018603 |
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5.805 5.856 17.338 94.97 88.45 89.94 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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Sn1 .25 .25 0 .57 .0259 .0357 .0082 .0344 .0004 .0082 .0005 |
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Fe1 .25 .25 0 .43 .0259 .0357 .0082 .0344 .0004 .0082 .0005 |
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S1 .2882 .6070 .08270 .0468 .090 .0156 .035 .0010 .006 .0007 |
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Pb2 .63901 .97083 -.23153 .74 .0353 .0269 .0301 .0484 -.0008 .0000 .0010 |
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Sn2 .63901 .97083 -.23153 .26 .0353 .0269 .0301 .0484 -.0008 .0000 .0010 |
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Pb3 .17797 .95073 -.41250 .265 .0353 .0300 .0314 .0443 .0077 .0057 .0051 |
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Sn3 .17797 .95073 -.41250 .735 .0353 .0300 .0314 .0443 .0077 .0057 .0051 |
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S2 .1435 .9653 -.2660 .0354 .0207 .0236 .061 .0028 .0043 .0025 |
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S3 .1349 .4239 -.4040 .0556 .058 .074 .033 -.028 .0047 -.005 |
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Cu1.6Pb1.6Bi6.4S12 |
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Topa D, Balic-Zunic T, Makovicky E |
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The Canadian Mineralogist 38 (2000) 611-616 |
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The crystal structure of Cu1.6Pb1.6Bi6.4S12, a new 44.8 Angstrom derivative of the |
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bismuthinite-aikinite solid-solution series |
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_database_code_amcsd 0005646 |
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4.0074 44.81 11.513 90 90 90 Pmc2_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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Pb1 0 .06361 .7982 .037 .039 .025 0 0 -.004 |
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Pb2 .5 .31075 .1624 .038 .032 .051 0 0 -.009 |
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Pb3 .5 .43703 .6634 .037 .044 .042 0 0 .013 |
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Bi1 .5 .01584 .4536 .026 .028 .025 0 0 .002 |
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Bi2 .0 .39060 .0091 .029 .035 .026 0 0 -.001 |
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Bi3 .0 .35861 .5042 .028 .036 .031 0 0 .007 |
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Bi4 .0 .14475 -.0009 .026 .026 .028 0 0 -.004 |
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Bi5 .5 .22969 .9590 .028 .025 .031 0 0 -.004 |
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Bi6 .5 .48024 .9714 .028 .030 .036 0 0 -.000 |
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Bi7 .5 .07147 .1293 .032 .033 .029 0 0 .005 |
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Bi8 .0 .30362 .8318 .034 .027 .044 0 0 -.008 |
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Bi9 .0 .44720 .3349 .036 .030 .025 0 0 -.009 |
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Bi10 .0 .10636 .4879 .027 .027 .023 0 0 .003 |
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Bi11 .5 .26746 .4706 .027 .030 .036 0 0 .004 |
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Bi12 .5 .17756 .6374 .030 .028 .033 0 0 .002 |
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Bi13 .0 .19673 .3208 .032 .043 .033 0 0 .008 |
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Cu1 .0 .00907 .2004 .71 .023 .011 .017 0 0 .003 |
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Cu2 .5 .38377 .2609 .99 .040 .042 .026 0 0 .001 |
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Cu3 .5 .36506 -.2392 .97 .036 .039 .022 0 0 .003 |
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Cu4 .5 .13758 .2360 .10 .030 0 0 |
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Cu5 .0 .23871 .7081 .10 .030 0 0 |
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S1 .0 .04743 .3507 .036 .021 .024 0 0 .003 |
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S2 .0 .03126 .0171 .021 .035 .020 0 0 .014 |
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S3 .0 .11069 .1938 .035 .012 .014 0 0 .007 |
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S4 .5 .17390 .1049 .016 .043 .040 0 0 .011 |
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S5 .5 .09749 .9309 .018 .031 .033 0 0 -.015 |
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S6 .5 .01444 .7576 .024 .025 .020 0 0 -.001 |
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S7 .5 .42267 .1144 .030 .023 .022 0 0 .010 |
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S8 .5 .34362 .9438 .030 .025 .022 0 0 -.009 |
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S9 .5 .26440 .7674 .025 .028 .027 0 0 -.007 |
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S10 .0 .20123 .8531 .039 .026 .012 0 0 -.011 |
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S11 .0 .27640 .0328 .032 .022 .022 0 0 .006 |
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S12 .0 .36002 .2060 .031 .028 .041 0 0 .008 |
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S13 .5 .32776 .6075 .022 .023 .030 0 0 .001 |
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S14 .5 .40576 .4409 .034 .024 .015 0 0 .008 |
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S15 .5 .48695 .2753 .028 .022 .019 0 0 .007 |
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S16 .0 .45007 .8685 .050 .018 .014 0 0 -.012 |
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S17 .0 .47274 .5386 .042 .030 .016 0 0 -.007 |
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S18 .0 .38868 .7039 .040 .011 .032 0 0 -.008 |
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S19 .5 .07648 .5895 .013 .029 .024 0 0 .002 |
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S20 .5 .15537 .4278 .016 .024 .027 0 0 .000 |
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S21 .5 .23728 .2720 .017 .022 .020 0 0 .005 |
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S22 .0 .29897 .3714 .059 .025 .023 0 0 -.002 |
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S23 .0 .21847 .5290 .036 .018 .025 0 0 -.006 |
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S24 .0 .13694 .6902 .027 .020 .033 0 0 -.007 |
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Neyite |
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Makovicky E, Balic-Zunic T, Topa D |
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The Canadian Mineralogist 39 (2001) 1365-1376 |
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The crystal structure of neyite, Ag2Cu6Pb25Bi26S68 |
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_database_code_amcsd 0005753 |
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37.527 4.0705 43.701 90 108.801 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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Bi1 .09485 0 .94977 .87 .02658 .02940 .02369 .02781 0 .01082 0 |
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Pb1 .09485 0 .94977 .13 .02658 .02940 .02369 .02781 0 .01082 0 |
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Bi2 .43197 0 .13675 .76 .02881 .03259 .02462 .02950 0 .01038 0 |
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Pb2 .43197 0 .13675 .24 .02881 .03259 .02462 .02950 0 .01038 0 |
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Pb3 .31775 0 .07448 .03058 .03180 .02571 .03291 0 .00858 0 |
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Bi4 .20505 0 .01414 .40 .02819 .03017 .02364 .02947 0 .00783 0 |
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Pb4 .20505 0 .01414 .60 .02819 .03017 .02364 .02947 0 .00783 0 |
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Bi5 .04111 0 .77668 .62 .02845 .02971 .02479 .03062 0 .00939 0 |
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Pb5 .04111 0 .77668 .38 .02845 .02971 .02479 .03062 0 .00939 0 |
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Pb6 .15591 0 .83870 .58 .02825 .03044 .02626 .02916 0 .01113 0 |
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Bi6 .15591 0 .83870 .32 .02825 .03044 .02626 .02916 0 .01113 0 |
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Ag6 .15591 0 .83870 .096 .02825 .03044 .02626 .02916 0 .01113 0 |
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Pb7 .27003 0 .90052 .56 .03155 .03404 .02748 .03314 0 .01085 0 |
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Bi7 .27003 0 .90052 .44 .03155 .03404 .02748 .03314 0 .01085 0 |
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Bi8 .48389 0 .30940 .02746 .02786 .02338 .03039 0 .00837 0 |
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Pb9 .37102 0 .24759 .69 .02893 .02831 .02491 .03309 0 .00922 0 |
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Bi9 .37102 0 .24759 .21 .02893 .02831 .02491 .03309 0 .00922 0 |
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Ag9 .37102 0 .24759 .105 .02893 .02831 .02491 .03309 0 .00922 0 |
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Bi10 .25656 0 .18688 .67 .02984 .03329 .02543 .03106 0 .01075 0 |
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Pb10 .25656 0 .18688 .33 .02984 .03329 .02543 .03106 0 .01075 0 |
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Bi11 .09861 0 .66520 .74 .03115 .03421 .02729 .03160 0 .01014 0 |
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Pb11 .09861 0 .66520 .06 .03115 .03421 .02729 .03160 0 .01014 0 |
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Ag11 .09861 0 .66520 .199 .03115 .03421 .02729 .03160 0 .01014 0 |
|
Bi12 .21150 0 .72539 .90 .02773 .03095 .02523 .02981 0 .01366 0 |
|
Pb12 .21150 0 .72539 .10 .02773 .03095 .02523 .02981 0 .01366 0 |
|
Bi13 .40313 0 .52831 .73 .02594 .02756 .02246 .02770 0 .00876 0 |
|
Pb13 .40313 0 .52831 .27 .02594 .02756 .02246 .02770 0 .00876 0 |
|
Pb14 .29628 0 .54313 .03116 .03273 .02698 .03488 0 .01244 0 |
|
Bi15 .18405 0 .53673 .97 .02661 .02807 .02379 .02739 0 .00811 0 |
|
Pb15 .18405 0 .53673 .03 .02661 .02807 .02379 .02739 0 .00811 0 |
|
Bi16 .08231 0 .55326 .62 .03150 .03376 .02467 .04061 0 .01830 0 |
|
Pb16 .08231 0 .55326 .24 .03150 .03376 .02467 .04061 0 .01830 0 |
|
Ag16 .08231 0 .55326 .137 .03150 .03376 .02467 .04061 0 .01830 0 |
|
Bi17 .37470 0 .85626 .94 .03317 .03488 .02888 .03594 0 .01166 0 |
|
Pb17 .37470 0 .85626 .06 .03317 .03488 .02888 .03594 0 .01166 0 |
|
Pb18 .33236 0 .75102 .03455 .03931 .02629 .03668 0 .01034 0 |
|
Bi19 .31808 0 .65130 .03024 .03385 .02470 .03407 0 .01360 0 |
|
Bi20 .02902 0 .08656 .03698 .04216 .02745 .03636 0 .00574 0 |
|
Bi21 .06808 0 .19264 .03264 .03612 .02708 .03431 0 .01078 0 |
|
Pb22 .07804 0 .28881 .03963 .05235 .02915 .03493 0 .01064 0 |
|
Pb23 .10255 0 .38733 .03113 .03386 .02364 .03605 0 .01148 0 |
|
Pb24 .38789 0 .95725 .04788 .05105 .03752 .04466 0 .00092 0 |
|
Pb25 .00264 0 .41019 .04144 .03531 .03068 .05300 0 .00681 0 |
|
Pb26 .32008 0 .37164 .04614 .04594 .03660 .05878 0 .02089 0 |
|
Ag1 .50000 0 .50000 .05817 .05235 .08567 .03271 0 .00844 0 |
|
Cu1 .46888 0 .01065 .04445 .03832 .04203 .04918 0 .00881 0 |
|
Cu2 .23194 0 .30895 .04397 .03775 .03468 .05888 0 .01476 0 |
|
Cu3 .74956 0 .59064 .04124 .03167 .03338 .05584 0 .01017 0 |
|
S1 .06509 0 -.00405 .02532 .03437 .02061 .02830 0 .02029 0 |
|
S2 .45381 0 .08328 .02675 .02563 .02987 .02693 0 .01151 0 |
|
S3 .35138 0 .01729 .03397 .02988 .02977 .03741 0 .00411 0 |
|
S4 .02053 0 .83397 .03138 .02788 .02845 .03684 0 .00907 0 |
|
S5 .12798 0 .89323 .02959 .02887 .02965 .03067 0 .01017 0 |
|
S6 .24064 0 .95702 .03191 .03161 .03263 .03362 0 .01346 0 |
|
S7 .49131 0 .74704 .03316 .02811 .03496 .03601 0 .00979 0 |
|
S8 .39963 0 .19231 .02885 .02930 .02925 .03025 0 .01275 0 |
|
S9 .28778 0 .12866 .02820 .03069 .02694 .02876 0 .01204 0 |
|
S10 .17830 0 .06508 .02925 .02837 .02279 .04126 0 .01771 0 |
|
S11 .03077 0 .33529 .02974 .02492 .02256 .03777 0 .00457 0 |
|
S12 .07383 0 .72412 .02869 .02480 .02734 .03125 0 .00530 0 |
|
S13 .18465 0 .78494 .03052 .03292 .02875 .03438 0 .01708 0 |
|
S14 .29140 0 .84375 .03138 .02667 .03315 .03760 0 .01492 0 |
|
S15 .45320 0 .35905 .02913 .02479 .03417 .02797 0 .00785 0 |
|
S16 .34311 0 .30519 .03231 .02638 .02703 .03696 0 .00106 0 |
|
S17 .23804 0 .24290 .02744 .02606 .02601 .02953 0 .00797 0 |
|
S18 .05158 0 .47919 .02700 .02802 .02600 .02709 0 .00904 0 |
|
S19 .14986 0 .46080 .02673 .02996 .02623 .02506 0 .01033 0 |
|
S20 .26838 0 .47394 .02683 .02964 .02589 .02856 0 .01438 0 |
|
S21 .36281 0 .45286 .03213 .02871 .01965 .05161 0 .01793 0 |
|
S22 .46661 0 .44262 .03283 .03523 .03165 .03123 0 .01018 0 |
|
S23 .10346 0 .09562 .03138 .03551 .02531 .03297 0 .01055 0 |
|
S24 .13871 0 .19270 .02656 .02688 .02404 .02803 0 .00784 0 |
|
S25 .16670 0 .29547 .03067 .02870 .02890 .03290 0 .00784 0 |
|
S26 .18636 0 .39239 .02860 .02668 .03133 .02923 0 .01101 0 |
|
S27 .47100 0 .95417 .02799 .02853 .02457 .03150 0 .01053 0 |
|
S28 .44556 0 .85669 .02828 .02891 .02503 .03177 0 .01099 0 |
|
S29 .40732 0 .76003 .02674 .02768 .02508 .02912 0 .01145 0 |
|
S30 .39053 0 .66252 .02477 .02958 .02170 .02377 0 .00963 0 |
|
S31 .44003 0 .59079 .02500 .02516 .02205 .02852 0 .00964 0 |
|
S32 .22310 0 .59748 .02534 .02695 .02212 .02742 0 .00945 0 |
|
S33 .12364 0 .61611 .03074 .02472 .03417 .03490 0 .01179 0 |
|
S34 .23842 0 .67783 .02872 .03210 .02711 .03117 0 .01607 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Paarite |
| |
Makovicky E, Topa D, Balic-Zunic T |
|
The Canadian Mineralogist 39 (2001) 1377-1382 |
|
The crystal structure of paarite, the newly discovered 56 A derivative |
|
of the bismuthinite-aikinite solid-solution series |
|
_database_code_amcsd 0005754 |
|
4.0070 55.998 11.512 90 90 90 Pmcn |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .75 .06455 .5074 .0418 .0398 .0420 .0437 0 0 .0039 |
|
Bi2 .25 .00787 .6575 .0438 .0434 .0447 .0433 0 0 .0017 |
|
Bi3 .75 .03372 .0209 .0405 .0393 .0395 .0428 0 0 .0022 |
|
Bi4 .25 .16240 -.0290 .0427 .0410 .0468 .0404 0 0 .0013 |
|
Bi5 .25 .09265 .1476 .0449 .0454 .0432 .0462 0 0 -.0031 |
|
Bi6 .75 .23416 .0081 .0419 .0397 .0435 .0426 0 0 .0045 |
|
Bi7 .25 .13711 .4743 .0423 .0403 .0473 .0393 0 0 .0027 |
|
Bi8 .25 .29219 .1460 .0447 .0451 .0477 .0413 0 0 -.0045 |
|
Pb1 .75 .09871 .8171 .0489 .0503 .0493 .0470 0 0 .0046 |
|
Pb2 .75 .19974 .3167 .0483 .0484 .0496 .0470 0 0 .0057 |
|
Cu1 .75 .15692 .7192 .048 .050 .055 .041 0 0 .000 |
|
Cu2 .75 .14191 .2197 .050 .052 .052 .044 0 0 .004 |
|
S1 .25 .0892 .6086 .040 .049 .036 .036 0 0 .000 |
|
S2 .25 .0252 .4484 .039 .040 .044 .034 0 0 -.003 |
|
S3 .75 .0402 .7084 .038 .039 .031 .043 0 0 .005 |
|
S4 .25 .0104 .1270 .041 .039 .049 .034 0 0 .004 |
|
S5 .25 .0714 .9480 .038 .035 .046 .033 0 0 .004 |
|
S6 .25 .1379 .7723 .039 .043 .033 .042 0 0 -.001 |
|
S7 .75 .1881 .8673 .040 .046 .032 .042 0 0 -.001 |
|
S8 .75 .1252 .0362 .043 .042 .049 .036 0 0 .003 |
|
S9 .75 .0613 .2126 .039 .041 .036 .039 0 0 .005 |
|
S10 .25 .2103 .1101 .039 .043 .028 .045 0 0 .004 |
|
S11 .25 .2281 .4437 .040 .045 .029 .044 0 0 .002 |
|
S12 .25 .1609 .2748 .039 .040 .043 .034 0 0 -.001 |
|
S13 .75 .1120 .3727 .039 .044 .035 .037 0 0 -.007 |
|
S14 .75 .1751 .5372 .041 .045 .038 .039 0 0 -.001 |
|
S15 .75 .2394 .7058 .039 .041 .039 .037 0 0 -.008 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Xilingolite |
|
Berlepsch P, Armbruster T, Makovicky E, Hejny C, Topa D, Graeser S |
|
The Canadian Mineralogist 39 (2001) 1653-1663 |
|
The crystal structure of (001) twinned xilingolite, Pb3Bi2S6, |
|
from Mittal-Hohtenn, Valais, Switzerland |
|
Locality: Mittal-Hohtenn, Valais, Switzerland |
|
_database_code_amcsd 0005755 |
|
13.511 4.0850 20.649 90 92.15 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
PbM1a .09675 .5 .13585 .67 .0381 .0367 .0428 .0347 0 .0011 0 |
|
BiM1a .09675 .5 .13585 .33 .0381 .0367 .0428 .0347 0 .0011 0 |
|
PbM1b .91787 .5 .63337 .67 .0399 .0399 .0417 .0380 0 -.0013 0 |
|
BiM1b .91787 .5 .63337 .33 .0399 .0399 .0417 .0380 0 -.0013 0 |
|
PbM2a .36535 .5 .04701 .67 .0386 .0367 .0407 .0383 0 .0005 0 |
|
BiM2a .36535 .5 .04701 .33 .0386 .0367 .0407 .0383 0 .0005 0 |
|
BiM2b .63998 .5 .55053 .0363 .0340 .0390 .0357 0 -.0008 0 |
|
PbM3 .32697 0 .24043 .0503 .0473 .0456 .0575 0 -.0035 0 |
|
S1a .2360 0 .1007 .045 .045 .047 .043 0 -.003 0 |
|
S1b .7651 0 .5874 .048 .044 .037 .061 0 -.014 0 |
|
S2a 0 .5 0 .044 .048 .045 .040 0 -.002 0 |
|
S2b 0 .5 .5000 .042 .033 .038 .056 0 .007 0 |
|
S3 .1846 .5 .2505 .036 .034 .047 .027 0 .002 0 |
|
S4a .4624 .5 .1649 .042 .045 .047 .033 0 .004 0 |
|
S4b .5569 .5 .6648 .037 .035 .047 .029 0 .001 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Emilite |
| |
Balic-Zunic T, Topa D, Makovicky E |
|
The Canadian Mineralogist 40 (2002) 239-245 |
|
The crystal structure of emilite, Cu10.7Pb10.7Bi21.3S48, the second 45 |
|
angstrom derivative of the bismuthinite-aikinite solid-solution series |
|
_database_code_amcsd 0005769 |
|
4.0285 44.986 11.599 90 90 90 Pmc2_1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 0 .14354 .4003 .0301 .030 .027 .034 0 0 -.005 |
|
Bi2 .5 -.01589 .3608 .0295 .031 .030 .027 0 0 -.001 |
|
Bi3 .5 .07152 .5363 .0365 .035 .041 .033 0 0 -.001 |
|
Bi4 0 .10499 .8982 .0310 .029 .028 .036 0 0 .003 |
|
Bi5 .5 .26488 .8645 .0299 .033 .026 .031 0 0 .002 |
|
Bi6 .5 .17709 .0368 .0366 .036 .033 .041 0 0 .001 |
|
Bi7 .5 .51934 .8652 .0293 .031 .023 .033 0 0 .003 |
|
Bi8 0 .35944 .8998 .0324 .031 .035 .032 0 0 .002 |
|
Bi9 0 .44729 .7272 .0378 .040 .026 .048 0 0 -.002 |
|
Bi10 .5 .23178 .3614 .0288 .030 .026 .030 0 0 .000 |
|
Bi11 0 .39190 .4033 .0294 .030 .024 .035 0 0 .000 |
|
Pb1 0 .06241 .2050 .0335 .038 .036 .026 0 0 -.003 |
|
Pb2 0 .18685 .7081 .0389 .041 .030 .045 0 0 .008 |
|
Pb3 .5 .43728 .0540 .0373 .039 .028 .045 0 0 .004 |
|
Pb4 .5 .31476 .5495 .0375 .038 .025 .049 0 0 .000 |
|
Pb5 0 .30960 .2145 .0394 .040 .022 .057 0 0 -.003 |
|
Cu1 0 .0100 .6080 .025 .021 .050 .006 0 0 -.003 |
|
Cu2 0 .2594 .6160 .036 .038 .031 .040 0 0 -.002 |
|
Cu3 .5 .3652 .1472 .048 .058 .022 .064 0 0 .011 |
|
Cu4 .5 .3858 .6530 .046 .059 .023 .056 0 0 -.013 |
|
Cu5 0 .2387 .1100 .035 .038 .028 .040 0 0 .002 |
|
Cu6 0 .4882 .112 .36 .04 |
|
Cu7 .5 .1335 .656 .34 .04 |
|
Cu8 .5 .1114 .150 .29 .04 |
|
S1 .5 .1727 .500 .027 |
|
S2 .5 .0975 .334 .029 |
|
S3 .5 .0139 .163 .020 |
|
S4 0 -.0469 .256 .022 |
|
S5 0 .0305 .425 .028 |
|
S6 0 .1108 .594 .023 |
|
S7 .5 .0747 .001 .030 |
|
S8 .5 .1512 .834 .026 |
|
S9 .5 .2348 .668 .024 |
|
S10 0 .2962 .766 .020 |
|
S11 0 .2181 .927 .022 |
|
S12 0 .1367 .093 .019 |
|
S13 0 .5491 .763 .028 |
|
S14 0 .4719 .932 .033 |
|
S15 0 .3881 .094 .034 |
|
S16 .5 .3264 .999 .038 |
|
S17 .5 .4059 .836 .040 |
|
S18 .5 .4869 .667 .031 |
|
S19 0 .2003 .255 .023 |
|
S20 0 .2772 .428 .027 |
|
S21 0 .3613 .597 .027 |
|
S22 .5 .4228 .504 .038 |
|
S23 .5 .3464 .339 .031 |
|
S24 .5 .2617 .167 .025 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gladite |
|
Topa D, Makovicky E, Balic-Zunic T |
|
The Canadian Mineralogist 40 (2002) 1147-1159 |
|
The structural role of excess Cu and Pb in gladite and krupkaite |
|
based on new refinements of their structure |
|
Sample: bd33 |
|
_database_code_amcsd 0005780 |
|
4.0044 33.575 11.480 90 90 90 Pmcn |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .25 .39201 .50696 .0421 .0388 .0442 .0432 0 0 .0040 |
|
Bi2 .75 .48687 .65683 .0434 .0434 .0456 .0412 0 0 -.0007 |
|
Bi3 .25 .05623 .52112 .0415 .0388 .0412 .0444 0 0 .0030 |
|
Bi4 .75 .27078 .47365 .0424 .0399 .0470 .0404 0 0 .0021 |
|
Bi5 .75 .15429 .64885 .0439 .0438 .0447 .0432 0 0 -.0031 |
|
Pb .25 .16511 .31833 .0485 .0477 .0512 .0468 0 0 .0049 |
|
Cu .25 .23783 .7205 .0490 .048 .055 .043 0 0 -.002 |
|
S1 .75 .3516 .6086 .040 .043 .038 .039 0 0 .004 |
|
S2 .75 .4581 .4482 .039 .039 .039 .039 0 0 .000 |
|
S3 .25 .4333 .7088 .037 .037 .035 .039 0 0 -.001 |
|
S4 .75 .0178 .6279 .041 .040 .040 .042 0 0 .002 |
|
S5 .75 .1190 .4484 .039 .038 .038 .040 0 0 .002 |
|
S6 .75 .2306 .2743 .039 .039 .038 .038 0 0 .000 |
|
S7 .25 .3132 .3714 .040 .043 .037 .041 0 0 -.001 |
|
S8 .25 .2081 .5379 .040 .041 .044 .037 0 0 .000 |
|
S9 .25 .1023 .7130 .037 .037 .037 .039 0 0 -.001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gladite |
|
Topa D, Makovicky E, Balic-Zunic T |
|
The Canadian Mineralogist 40 (2002) 1147-1159 |
|
The structural role of excess Cu and Pb in gladite and krupkaite |
|
based on new refinements of their structure |
|
Sample: bd39 |
|
_database_code_amcsd 0005781 |
|
4.0100 33.589 11.502 90 90 90 Pmcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .25 .39243 .50808 .0363 .0339 .0374 .0377 0 0 .0044 |
|
Bi2 .75 .48697 .65794 .0407 .0379 .0429 .0414 0 0 .0032 |
|
Bi3 .25 .05679 .52041 .0358 .0338 .0343 .0392 0 0 .0022 |
|
Bi4 .75 .27130 .47335 .0360 .0343 .0394 .0343 0 0 .0020 |
|
Bi5 .75 .15535 .64725 .0397 .0406 .0398 .0386 0 0 -.0035 |
|
Pb .25 .16514 .31690 .0422 .0431 .0431 .0405 0 0 .0040 |
|
Cu1 .25 .23800 .7207 .0419 .042 .046 .037 0 0 -.004 |
|
Cu2 .75 .4318 .2672 .223 .042 |
|
S1 .75 .3517 .6088 .033 .036 .032 .032 0 0 .001 |
|
S2 .75 .4574 .4484 .033 .035 .031 .033 0 0 .000 |
|
S3 .25 .4332 .7091 .031 .034 .027 .032 0 0 .001 |
|
S4 .75 .0180 .6268 .033 .035 .032 .032 0 0 .001 |
|
S5 .75 .1192 .4480 .032 .035 .029 .032 0 0 .001 |
|
S6 .75 .2307 .2753 .032 .033 .028 .034 0 0 .000 |
|
S7 .25 .3132 .3702 .034 .038 .031 .032 0 0 .000 |
|
S8 .25 .2082 .5385 .035 .038 .036 .031 0 0 .000 |
|
S9 .25 .1023 .7126 .031 .035 .027 .032 0 0 -.001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Krupkaite |
|
Topa D, Makovicky E, Balic-Zunic T |
|
The Canadian Mineralogist 40 (2002) 1147-1159 |
|
The structural role of excess Cu and Pb in gladite and krupkaite |
|
based on new refinements of their structure |
|
Sample: bd47 |
|
_database_code_amcsd 0005782 |
|
4.0134 11.208 11.560 90 90 90 Pmc2_1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 0 .92144 .42290 .0334 .0320 .0323 .0360 0 0 .0042 |
|
Bi2 .5 .56408 .38615 .0344 .0341 .0362 .0330 0 0 .0023 |
|
Bi3 .5 .21067 .55937 .0367 .0380 .0357 .0365 0 0 -.0032 |
|
Pb1 0 .2513 .23076 .0417 .0420 .0427 .0405 0 0 .0068 |
|
Cu1 0 .4611 .6332 .98 .042 |
|
S1 .5 .8029 .5255 .031 .034 .027 .032 0 0 .000 |
|
S2 .5 .1106 .3577 .032 .034 .032 .030 0 0 .000 |
|
S3 .5 .4446 .1885 .032 .033 .030 .034 0 0 -.002 |
|
S4 0 .6904 .2822 .033 .042 .025 .032 0 0 -.004 |
|
S5 0 .3758 .4510 .030 .034 .028 .028 0 0 -.002 |
|
S6 0 .0531 .6201 .030 .033 .026 .031 0 0 .000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Krupkaite |
|
Topa D, Makovicky E, Balic-Zunic T |
|
The Canadian Mineralogist 40 (2002) 1147-1159 |
|
The structural role of excess Cu and Pb in gladite and krupkaite |
|
based on new refinements of their structure |
|
Sample: bd50 |
|
_database_code_amcsd 0005783 |
|
4.0145 11.202 11.560 90 90 90 Pmc2_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 0 .92106 .42767 .0323 .0310 .0330 .0328 0 0 -.0038 |
|
Bi2 .5 .56344 .39079 .0330 .0315 .0379 .0295 0 0 -.0015 |
|
Bi3 .5 .21048 .56429 .0352 .0347 .0377 .0330 0 0 .0038 |
|
Pb1 0 .2507 .2357 .0381 .0394 .0399 .0351 0 0 .0033 |
|
Cu1 0 .4612 .6386 .0390 .037 .048 .032 0 0 .003 |
|
S1 .5 .8021 .5304 .031 .035 .029 .030 0 0 -.005 |
|
S2 .5 .1104 .3629 .030 .030 .033 .027 0 0 -.004 |
|
S3 .5 .4447 .1920 .033 .041 .034 .024 0 0 .004 |
|
S4 0 .6901 .2882 .029 .033 .028 .025 0 0 .002 |
|
S5 0 .3751 .4563 .032 .034 .036 .026 0 0 .002 |
|
S6 0 .0531 .6241 .028 .025 .031 .029 0 0 .001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Krupkaite |
|
Topa D, Makovicky E, Balic-Zunic T |
|
The Canadian Mineralogist 40 (2002) 1147-1159 |
|
The structural role of excess Cu and Pb in gladite and krupkaite |
|
based on new refinements of their structure |
|
Sample: bd59 |
|
_database_code_amcsd 0005784 |
|
4.0212 11.232 11.581 90 90 90 Pmc2_1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 0 .9232 .4225 .0352 .0320 .0354 .0382 0 0 .0037 |
|
Bi2 .5 .5641 .3857 .0359 .0328 .0389 .0360 0 0 .0007 |
|
Bi3 .5 .2134 .5602 .0452 .0384 .0509 .0462 0 0 .0018 |
|
Pb1 0 .2516 .2307 .0418 .0404 .0408 .0441 0 0 .0051 |
|
Cu1 0 .4606 .6334 .042 .038 .050 .038 0 0 .000 |
|
Cu2 .5 .046 .169 .12 .042 |
|
S1 .5 .8033 .5235 .033 .038 .026 .035 0 0 .004 |
|
S2 .5 .1113 .3578 .034 .034 .032 .036 0 0 .002 |
|
S3 .5 .4456 .1867 .031 .029 .027 .035 0 0 .001 |
|
S4 0 .6902 .2828 .034 .032 .030 .039 0 0 .001 |
|
S5 0 .3774 .4493 .037 .035 .036 .040 0 0 -.006 |
|
S6 0 .0532 .6178 .033 .031 .034 .034 0 0 -.001 |
|
|
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|
| |
|
Krupkaite |
|
Topa D, Makovicky E, Balic-Zunic T |
|
The Canadian Mineralogist 40 (2002) 1147-1159 |
|
The structural role of excess Cu and Pb in gladite and krupkaite |
|
based on new refinements of their structure |
|
Sample: bd59, split Bi3 site |
|
_database_code_amcsd 0005785 |
|
4.0212 11.232 11.581 90 90 90 Pmc2_1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 0 .9232 .4225 .0352 .0320 .0354 .0382 0 0 .0037 |
|
Bi2 .5 .5641 .3857 .0359 .0328 .0389 .0360 0 0 .0007 |
|
Bi3 .5 .2105 .5585 .82 .0402 |
|
Pb3 .5 .233 .582 .18 .052 |
|
Pb1 0 .2516 .2307 .0418 .0404 .0408 .0441 0 0 .0051 |
|
Cu1 0 .4606 .6334 .042 .038 .050 .038 0 0 .000 |
|
Cu2 .5 .046 .169 .12 .042 |
|
S1 .5 .8033 .5235 .033 .038 .026 .035 0 0 .004 |
|
S2 .5 .1113 .3578 .034 .034 .032 .036 0 0 .002 |
|
S3 .5 .4456 .1867 .031 .029 .027 .035 0 0 .001 |
|
S4 0 .6902 .2828 .034 .032 .030 .039 0 0 .001 |
|
S5 0 .3774 .4493 .037 .035 .036 .040 0 0 -.006 |
|
S6 0 .0532 .6178 .033 .031 .034 .034 0 0 -.001 |
|
|
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|
| |
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Kupcikite |
|
Topa D, Makovicky E, Balic-Zunic T, Paar W H |
|
The Canadian Mineralogist 41 (2003) 1155-1166 |
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Kupcikite, Cu3.4Fe0.6Bi5S10, a new Cu-Bi sulfosalt from |
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Felbertal, Austria, and its crystal structure |
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Locality: Felbertal, Austria |
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_database_code_amcsd 0005882 |
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17.512 3.9103 12.869 90 108.56 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) |
|
Cu1 .4007 0 .4719 .0464 .0431 .0374 .065 0 .0258 0 |
|
Cu2 .2158 0 .0602 .45 .0365 |
|
Fe2 .2158 0 .0602 .29 .0365 |
|
Cu3 .1925 0 .0688 .26 .034 |
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Bi1 .5 0 0 .0339 .0389 .0275 .0345 0 .0108 0 |
|
Bi2 .41619 .5 .22470 .0349 .0364 .0335 .0358 0 .0130 0 |
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Bi3 .19776 .5 .33891 .0339 .0330 .0329 .0345 0 .0088 0 |
|
S1 .5454 .5 .1669 .0313 .034 .029 .031 0 .010 0 |
|
S2 .3465 0 .0243 .0323 .035 .028 .034 0 .011 0 |
|
S3 .2614 0 .2482 .0303 .032 .028 .031 0 .011 0 |
|
S4 .4827 0 .3626 .0324 .034 .031 .031 0 .009 0 |
|
S5 .3353 .5 .4970 .0273 .027 .026 .029 0 .009 0 |
|
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|
| |
|
Cuprobismutite |
|
Topa D, Makovicky E, Balic-Zunic T |
|
The Canadian Mineralogist 41 (2003) 1481-1501 |
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Crystal structures and crystal chemistry of members of the cuprobismutite |
|
homologous series of sulfosalts |
|
Locality: Felbertal Austria |
|
_database_code_amcsd 0005923 |
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17.590 3.9219 15.177 90 100.710 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .0 .5 .0 .292 .0304 .0280 .0295 .0341 0 .0068 0 |
|
Ag1 .0 .5 .0 .708 .0304 .0280 .0295 .0342 0 .0068 0 |
|
Bi2 .33456 .5 .09272 .0293 .0300 .0219 .0340 0 .0012 0 |
|
Bi3 .49537 .0 .28002 .0293 .0311 .0239 .0321 0 .0038 0 |
|
Bi4 .24520 .5 .37071 .0270 .0250 .0248 .0307 0 .0037 0 |
|
Cu1 .15528 .0 .14082 .0562 .0929 .0416 .0360 0 .0166 0 |
|
Cu2 .08802 .0 .47966 .0399 .0348 .0365 .0478 0 .0060 0 |
|
S1 .16381 .5 .05920 .0294 .0353 .0230 .0287 0 .0027 0 |
|
S2 .48973 .5 .12471 .0275 .0252 .0267 .0311 0 .0066 0 |
|
S3 .34252 .0 .22009 .0255 .0215 .0232 .0315 0 .0046 0 |
|
S4 .15341 .0 .28959 .0253 .0203 .0232 .0315 0 .0028 0 |
|
S5 .46745 .5 .38695 .0277 .0309 .0238 .0294 0 .0082 0 |
|
S6 .16142 .5 .49378 .0265 .0285 .0206 .0288 0 .0017 0 |
|
|
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|
| |
|
Hodrushite |
|
Topa D, Makovicky E, Balic-Zunic T |
|
The Canadian Mineralogist 41 (2003) 1481-1501 |
|
Crystal structures and crystal chemistry of members of the cuprobismutite |
|
homologous series of sulfosalts |
|
Locality: Felbertal Austria |
|
_database_code_amcsd 0005924 |
|
17.562 3.9201 27.150 90 92.561 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) |
|
BiME1 .0 .5 .0 .0334 .0389 .0276 .0336 0 .0010 0 |
|
BiME2 .0 .0 .5 .58 .0334 .0345 .0327 .0329 0 -.0005 0 |
|
AgME2 .0 .0 .5 .42 .0334 .0345 .0327 .0329 0 -.0005 0 |
|
Bi1 .37147 .5 .10117 .0325 .0332 .0326 .0318 0 .0018 0 |
|
Bi2 .13057 .5 .15252 .0328 .0330 .0333 .0320 0 .0002 0 |
|
Bi3 .17142 .0 .29526 .0314 .0300 .0318 .0324 0 .0007 0 |
|
Bi4 .44186 .5 .34474 .0335 .0360 .0323 .0321 0 .0019 0 |
|
Bi5 .31594 .0 .44807 .0334 .0332 .0321 .0353 0 .0050 0 |
|
Cu1A .2028 .0 .0266 .67 .0350 .0409 .0334 .0307 0 .0004 0 |
|
Cu1B .1769 .0 .0313 .23 .0350 .0409 .0334 .0307 0 .0004 0 |
|
Cu2 .30651 .0 .21181 .0483 .0389 .0405 .0664 0 .0109 0 |
|
Cu3 .49290 .0 .23496 .0401 .0356 .0381 .0464 0 .0005 0 |
|
Cu4 .12737 .5 .42229 .0525 .0816 .0416 .0332 0 -.0104 0 |
|
S1 .34179 .0 .01089 .0312 .0324 .0288 .0324 0 .0017 0 |
|
S2 .01159 .0 .07497 .0309 .0320 .0296 .0311 0 .0025 0 |
|
S3 .21107 .0 .11110 .0296 .0298 .0282 .0308 0 .0026 0 |
|
S4 .41000 .0 .16263 .0301 .0321 .0303 .0276 0 -.0005 0 |
|
S5 .23697 .5 .22278 .0285 .0296 .0252 .0306 0 .0012 0 |
|
S6 .06358 .0 .22780 .0301 .0290 .0295 .0316 0 .0006 0 |
|
S7 .39101 .0 .28721 .0318 .0353 .0325 .0273 0 -.0009 0 |
|
S8 .09547 .5 .34107 .0308 .0298 .0294 .0335 0 .0057 0 |
|
S9 .29921 .5 .37839 .0302 .0295 .0295 .0316 0 .0022 0 |
|
S10 .46488 .0 .43114 .0317 .0327 .0325 .0298 0 .0010 0 |
|
S11 .15111 .0 .46827 .0341 .0357 .0322 .0342 0 .0004 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hodrushite |
|
Topa D, Makovicky E, Balic-Zunic T |
|
The Canadian Mineralogist 41 (2003) 1481-1501 |
|
Crystal structures and crystal chemistry of members of the cuprobismutite |
|
homologous series of sulfosalts |
|
Locality: Swartberg, South Africa |
|
_database_code_amcsd 0005925 |
|
17.527 3.901 27.120 90 92.343 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
BiME1 .0 .5 .0 .0176 .0237 .0130 .0161 0 .0027 0 |
|
BiME2 .0 .0 .5 .750 .0191 .0198 .0212 .0163 0 .0025 0 |
|
Cu5c .0266 0 .4539 .250 .0191 .0198 .0212 .0163 0 .0025 0 |
|
Bi1 .37068 .5 .10071 .0167 .0184 .0182 .0138 0 .0038 0 |
|
Bi2 .12877 .5 .15199 .0173 .0188 .0187 .0146 0 .0026 0 |
|
Bi3 .16960 0 .29461 .0157 .0153 .0179 .0141 0 .0023 0 |
|
Bi4 .44038 .5 .34288 .0185 .0226 .0174 .0157 0 .0031 0 |
|
Bi5 .31627 .0 .44844 .0204 .0195 .0223 .0198 0 .0064 0 |
|
Cu1A .2104 .0 .02507 .41 .0234 |
|
Cu1B .1903 .0 .02828 .59 .0234 |
|
Cu2 .30355 .0 .21016 .0343 .0283 .0235 .0524 0 .0187 0 |
|
Cu3 .49043 .0 .23403 .0232 .0207 .0213 .0278 0 .0016 0 |
|
Cu4 .13079 .5 .42145 .0387 .0653 .0287 .0213 0 -.0084 0 |
|
S1 .34188 .0 .01111 .0152 .0169 .0159 .0132 0 .0056 0 |
|
S2 .01147 .0 .07500 .0148 .0175 .0129 .0142 0 .0039 0 |
|
S3 .20945 .0 .11085 .0147 .0146 .0167 .0128 0 .0027 0 |
|
S4 .40824 .0 .16270 .0133 .0161 .0151 .0089 0 .0043 0 |
|
S5 .23393 .5 .22249 .0131 .0151 .0126 .0119 0 .0034 0 |
|
S6 .06053 .0 .22787 .0153 .0143 .0133 .0181 0 -.0006 0 |
|
S7 .38830 .0 .28623 .0154 .0198 .0179 .0084 0 .0002 0 |
|
S8 .09441 .5 .34133 .0139 .0161 .0148 .0114 0 .0052 0 |
|
S9 .29927 .5 .37966 .0152 .0154 .0169 .0133 0 .0025 0 |
|
S10 .46382 .0 .43090 .0164 .0178 .0184 .0135 0 .0057 0 |
|
S11 .15078 .0 .46710 .0169 .0184 .0152 .0173 0 .0029 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Putzite |
| |
Paar W H, Roberts A C, Berlepsch P, Armbruster T, Topa D, Zagler G |
|
The Canadian Mineralogist 42 (2004) 1757-1769 |
|
Putzite, (Cu4.7Ag3.3)8GeS6, a new mineral species, from Capillitas, Catamarca, |
|
Argentina: Description and crystal structure |
|
Locality: Capillitas, Catamarca, Argentina |
|
_database_code_amcsd 0005995 |
|
10.1250 10.1250 10.1250 90 90 90 F-43m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ge1 0 .5 0 .0127 .0127 .0127 .0127 0 0 0 |
|
Cu1 .25 .75 .9804 .5 .059 .072 .072 .034 -.039 0 0 |
|
Ag1 .3279 .4713 .1721 .25 .072 .064 .086 .064 -.005 -.021 .005 |
|
Cu2 .355 .564 .145 .14 .118 |
|
Ag2 .355 .564 .145 .04 .118 |
|
S1 .1250 .6250 .1250 .0208 .0208 .0208 .0208 -.0064 -.0064 -.0064 |
|
S2 .25 .75 .75 .051 .051 .051 .051 0 0 0 |
|
S3 .5206 .5206 .0206 .25 .023 .023 .023 .023 -.006 -.006 -.006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Milotaite |
| |
Paar W H, Topa D, Makovicky E, Culetto F J |
|
The Canadian Mineralogist 43 (2005) 689-694 |
|
Milotaite, PdSbSe, a new palladium mineral species from Predborice, Czech Republic |
|
Sample: synthetic analog to milotaite |
|
_database_code_amcsd 0006003 |
|
6.3181 6.3181 6.3181 90 90 90 P2_13 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pd .25390 .74610 .24610 .0088 .0088 .0088 .0088 -.0001 -.0001 .0001 |
|
Sb .12677 .12677 .12677 .0096 .0096 .0096 .0096 .0011 .0011 .0011 |
|
Se .63232 .86768 .13232 .0104 .0104 .0104 .0104 -.0006 .0006 -.0006 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Berryite |
|
Topa D, Makovicky E, Putz H, Mumme W G |
|
The Canadian Mineralogist 44 (2006) 465-480 |
|
The crystal structure of berryite, Cu3Ag2Pb3Bi7S16 |
|
Locality: Grube Clara, Black Forest, Germany |
|
Note: y-coordinates corrected by author |
|
_database_code_amcsd 0006086 |
|
12.703 4.0305 28.925 90 102.484 90 P2_1/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .2212 .25 .7650 .021 .021 .012 .031 0 .007 0 |
|
Cu2 .5349 .25 .2603 .024 .025 .013 .040 0 .016 0 |
|
Cu3 .7355 .25 .7580 .019 .014 .008 .038 0 .009 0 |
|
Ag1 .3872 .25 .4502 .043 .039 .076 .014 0 .005 0 |
|
Ag2 .5636 .25 .9483 .044 .037 .078 .016 0 .001 0 |
|
Pb1 .18898 .25 .66000 .0177 .0220 .0098 .0210 0 .0045 0 |
|
Pb2 .32335 .25 .16151 .0197 .0251 .0105 .0233 0 .0048 0 |
|
Pb3 .86159 .25 .67228 .0159 .0176 .0110 .0203 0 .0068 0 |
|
Bi1 .01029 .25 .19285 .0129 .0149 .0070 .0160 0 .0015 0 |
|
Bi2 .05234 .25 .44385 .0113 .0138 .0070 .0134 0 .0033 0 |
|
Bi3 .23842 .25 .95422 .0111 .0143 .0051 .0147 0 .0053 0 |
|
Bi4 .52225 .25 .64744 .0100 .0117 .0036 .0153 0 .0043 0 |
|
Bi5 .63580 .25 .14436 .0106 .0138 .0051 .0124 0 .0018 0 |
|
Bi6 .71532 .25 .45283 .0119 .0148 .0045 .0167 0 .0038 0 |
|
Bi7 .89915 .25 .94336 .0123 .0147 .0067 .0162 0 .0054 0 |
|
S1 .0397 .25 .7526 .008 .007 .007 .010 0 .005 0 |
|
S2 .1232 .25 .5587 .013 .004 .012 .024 0 .003 0 |
|
S3 .1872 .25 .2548 .012 .008 .006 .022 0 .004 0 |
|
S4 .2082 .25 .8606 .012 .022 .011 .003 0 .007 0 |
|
S5 .2545 .25 .0613 .010 .008 .014 .006 0 .001 0 |
|
S6 .3434 .25 .3637 .008 .007 .003 .013 0 -.001 0 |
|
S7 .4228 .25 .5368 .017 .025 .008 .019 0 .008 0 |
|
S8 .5215 .25 .8613 .015 .012 .010 .023 0 .005 0 |
|
S9 .5542 .25 .7393 .013 .010 .014 .016 0 .006 0 |
|
S10 .6118 .25 .0359 .017 .017 .019 .014 0 -.001 0 |
|
S11 .6562 .25 .3562 .010 .004 .004 .020 0 .001 0 |
|
S12 .6965 .25 .2368 .013 .016 .005 .017 0 .002 0 |
|
S13 .8022 .25 .5574 .010 .006 .012 .010 0 -.005 0 |
|
S14 .8568 .25 .8470 .014 .022 .011 .011 0 .008 0 |
|
S15 .9326 .25 .0492 .015 .019 .008 .021 0 .013 0 |
|
S16 .9918 .25 .3526 .012 .022 .001 .017 0 .011 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Paderaite |
|
Topa D, Makovicky E |
|
The Canadian Mineralogist 44 (2006) 481-495 |
|
The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22, |
|
with X = Cu or Ag: New data and interpretation |
|
Locality: Bihor, Romania |
|
_database_code_amcsd 0006087 |
|
17.585 3.9386 28.453 90 105.41 90 P2_1/m |
|
atom x y z occ Uiso |
|
Cu1 .3705 .25 .3059 .033 |
|
Cu2 .3394 .25 .4914 .023 |
|
Cu3 .3117 .25 .0656 .022 |
|
Cu4 .2284 .75 .2548 .036 |
|
Cu5 .1616 .25 .5103 .025 |
|
Cu6 .1320 .25 .6962 .031 |
|
Cu7 .5838 .75 .9978 .102 |
|
Cu3b .2343 .75 .9400 .090 .0222 |
|
Ag3b .2343 .75 .9400 .200 .0222 |
|
Pb .34195 .25 .18032 .0298 |
|
Bi1 .27360 .75 .62006 .0144 |
|
Bi2 .29355 .75 .77468 .815 .0136 |
|
Pb2 .29355 .75 .77468 .185 .0136 |
|
Bi3b .28837 .75 .92156 .710 .0222 |
|
Bi4 .22884 .75 .38139 .0145 |
|
Bi5 .11975 .25 .82186 .0145 |
|
Bi6 .10532 .75 .00502 .0179 |
|
Bi7 .09598 .25 .13563 .815 .0220 |
|
Pb7 .09598 .25 .13563 .185 .0220 |
|
Bi8 .05401 .25 .28225 .0133 |
|
Bi9 .01535 .75 .57041 .0130 |
|
Bi10 .48282 .75 .42972 .0134 |
|
Bi11 .45935 .25 .71944 .0126 |
|
Bi12 .48094 .25 .87687 .0154 |
|
S1 .4308 .75 .6491 .010 |
|
S2 .4743 .75 .7974 .012 |
|
S3 .4725 .75 .9449 .022 |
|
S4 .3659 .75 .1041 .019 |
|
S5 .3795 .75 .2662 .020 |
|
S6 .3845 .25 .3866 .090 |
|
S7 .4126 .75 .4988 .014 |
|
S8 .2891 .25 .5616 .016 |
|
S9 .2919 .25 .7047 .008 |
|
S10 .2987 .25 .8450 .018 |
|
S11 .2854 .25 .9815 .036 |
|
S12 .2049 .75 .1716 .013 |
|
S13 .2050 .25 .2922 .010 |
|
S14 .2123 .25 .4392 .013 |
|
S15 .1133 .25 .6146 .013 |
|
S16 .1335 .75 .7416 .015 |
|
S17 .1233 .75 .8872 .013 |
|
S18 .0066 .75 .0553 .013 |
|
S19 .0335 .75 .2050 .017 |
|
S20 .0746 .75 .3533 .010 |
|
S21 .0888 .75 .5022 .015 |
|
S22 .1776 .25 .0665 .017 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Paderaite |
|
Topa D, Makovicky E |
|
The Canadian Mineralogist 44 (2006) 481-495 |
|
The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22, |
|
with X = Cu or Ag: New data and interpretation |
|
Locality: Swartberg, South Africa |
|
_database_code_amcsd 0006088 |
|
17.573 3.9426 28.423 90 105.525 90 P2_1/m |
|
atom x y z occ |
|
Cu1 .3708 .25 .3058 |
|
Cu2 .3396 .25 .4906 |
|
Cu3 .3119 .25 .0652 |
|
Cu4 .2286 .75 .2544 |
|
Cu5 .1616 .25 .5104 |
|
Cu6 .1335 .25 .6968 |
|
Cu7 .4187 .25 .0002 |
|
Pb .34249 .25 .18024 |
|
Bi1 .27356 .75 .62010 |
|
Bi2 .29351 .75 .77480 .83 |
|
Pb2 .29351 .75 .77480 .17 |
|
Bi3b .28975 .75 .92193 .680 |
|
Cu8b .23585 .75 .93998 .320 |
|
Bi4 .22882 .75 .38128 |
|
Bi5 .12012 .25 .82221 |
|
Bi6 .10540 .75 .00493 |
|
Bi7 .09656 .25 .13544 .83 |
|
Pb7 .09656 .25 .13544 .17 |
|
Bi8 .05403 .25 .28183 |
|
Bi9 .01533 .75 .57052 |
|
Bi10 .48293 .75 .42963 |
|
Bi11 .45939 .25 .71975 |
|
Bi12 .48079 .25 .87746 |
|
S1 .4313 .75 .6494 |
|
S2 .4753 .75 .7988 |
|
S3 .4711 .75 .9446 |
|
S4 .3662 .75 .1037 |
|
S5 .3797 .75 .2655 |
|
S6 .3839 .25 .3869 |
|
S7 .4119 .75 .4986 |
|
S8 .2887 .25 .5614 |
|
S9 .2929 .25 .7044 |
|
S10 .2987 .25 .8452 |
|
S11 .2891 .25 .9816 |
|
S12 .2053 .75 .1715 |
|
S13 .2046 .25 .2928 |
|
S14 .2126 .25 .4398 |
|
S15 .1126 .25 .6148 |
|
S16 .1328 .75 .7415 |
|
S17 .1245 .75 .8876 |
|
S18 .0048 .75 .0558 |
|
S19 .0337 .75 .2047 |
|
S20 .0739 .75 .3522 |
|
S21 .0894 .75 .5033 |
|
S22 .1788 .25 .0663 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Jagueite |
| |
Topa D, Makovicky E, Balic-Zunic T |
|
The Canadian Mineralogist 44 (2006) 497-505 |
|
The crystal structures of jagueite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4 |
|
Locality: El Chire, La Rioja, Argentina |
|
_database_code_amcsd 0006089 |
|
5.672 9.909 6.264 90 115.40 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu .6183 .1929 -.0172 .95 .0278 .0200 .0249 .037 -.0023 .0104 -.0039 |
|
Ag .6183 .1929 -.0172 .05 .0278 .0200 .0249 .037 -.0023 .0104 -.0039 |
|
Pd1 0 0 0 .0168 .0136 .0169 .0184 -.0012 .0055 .0001 |
|
Pd2 .2585 .1270 .5001 .0184 .0169 .0179 .0179 .0014 .0052 .0005 |
|
Se1 .4685 .0546 .2418 .0185 .0144 .0201 .0197 .0018 .0062 .0005 |
|
Se2 .0159 .1860 .7362 .0185 .0193 .0171 .0188 -.0022 .0078 -.0001 |
|
|
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|
| |
|
Chrisstanleyite |
|
Topa D, Makovicky E, Balic-Zunic T |
|
The Canadian Mineralogist 44 (2006) 497-505 |
|
The crystal structures of jagueite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4 |
|
Locality: El Chire, La Rioja, Argentina |
|
_database_code_amcsd 0006090 |
|
5.676 10.342 6.341 90 114.996 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ag .6298 .1964 .9789 .796 .0115 |
|
Cu .645 .189 .041 .20 .0115 |
|
Pd1 0 0 0 .0069 .0085 .001 .012 -.0013 .0052 .0013 |
|
Pd2 .2649 .1271 .5071 .0071 .0099 .002 .012 .0010 .0070 .0003 |
|
Se1 .4645 .0500 .2518 .0080 .0081 .005 .011 .0017 .0046 .0017 |
|
Se2 .0445 .1836 .7593 .0081 .0130 .002 .012 -.0029 .0084 .0002 |
|
|
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|
| |
|
Catamarcaite |
| |
Putz H, Paar W H, Topa D, Makovicky E, Roberts A C |
|
The Canadian Mineralogist 44 (2006) 1481-1497 |
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Catamarcaite, Cu6GeWS8, a new germanium sulfide mineral species from |
|
Capillitas, Catamarca, Argentina: Description, paragenesis and crystal structure |
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Locality: Capillitas, Catamarca, Argentina |
|
_database_code_amcsd 0006132 |
|
7.5238 7.5238 12.390 90 90 120 P6_3mc |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .8402 .1598 .1049 .0177 .022 .022 .013 .0137 -.0016 .0016 |
|
Cu2 .5044 .4956 .3536 .0189 .0197 .0197 .0166 .0094 .0015 -.0015 |
|
Ge 0 0 .3513 .0085 .0100 .0100 .006 .0050 0 0 |
|
W 1/3 2/3 .4810 .0085 .0103 .0103 .0051 .0051 0 0 |
|
S1 1/3 2/3 .3002 .016 .020 .020 .009 .010 0 0 |
|
S2 .5032 .4969 .0419 .0142 .016 .016 .009 .006 -.0016 .0016 |
|
S3 .8381 .6763 .29044 .011 .012 .010 .010 .005 -.0002 -.001 |
|
S4 0 0 .5311 .011 .015 .015 .004 .007 0 0 |
|
|
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|
| |
|
Dadsonite |
|
Makovicky E, Topa D, Mumme W G |
|
The Canadian Mineralogist 44 (2006) 1499-1512 |
|
The crystal structure of dadsonite |
|
Locality: Low Tatra Mountains, Slovakia |
|
Sample: 8-angstrom structure |
|
_database_code_amcsd 0006133 |
|
8.276 17.392 19.505 83.527 77.882 89.215 P-1 |
|
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 .01133 .76979 .00506 .0236 .0251 .0231 .0216 .0038 -.0045 .0013 |
|
Pb2 .09059 .84888 .77863 .0251 .0235 .0321 .0196 -.0026 -.0022 -.0076 |
|
Pb3 .10223 .32396 .78080 .0211 .0229 .0211 .0189 .0014 -.0031 -.0033 |
|
Pb4 .1025 .4633 .2931 .648 .0162 |
|
Sb14 .129 .4626 .2950 .352 .0162 |
|
Pb5 .18480 .73765 .60477 .0221 .0212 .0269 .0179 .0001 -.0028 -.0041 |
|
Pb6 .21059 .39080 .57004 .0268 .0240 .0333 .0237 -.0005 -.0066 -.0032 |
|
Pb7 .27458 .61319 .42895 .0264 .0238 .0331 .0231 .0011 -.0058 -.0049 |
|
Pb8 .32374 .26441 .39448 .0220 .0206 .0277 .0181 .0014 -.0040 -.0041 |
|
Pb9 .39622 .67579 .21894 .0209 .0232 .0214 .0185 .0016 -.0051 -.0031 |
|
Pb10 .41029 .15288 .22049 .0234 .0236 .0276 .0194 .0011 -.0031 -.0072 |
|
Pb11 .48670 .23079 .99463 .0235 .0234 .0232 .0219 .0035 -.0021 .0002 |
|
Sb1A .029 .1701 .5736 .69 .0158 |
|
Sb1B -.004 .1743 .5769 .31 .0158 |
|
Sb2 .0503 .9794 .08083 .0212 .0228 .025 .0187 .0094 -.0071 -.0081 |
|
Sb3 .1067 .0473 .4045 .741 .0221 |
|
Pb12 .0927 .0379 .4095 .259 .0221 |
|
Sb4A .161 .3547 .1324 .63 .0173 |
|
Sb4B .207 .3550 .1312 .37 .0173 |
|
Sb5 .2081 .90797 .25218 .0201 .0242 .02 .0145 .0036 -.0004 -.0029 |
|
Sb6 .2112 .56013 .09091 .0203 .0266 .018 .0180 .0025 -.00672 -.00391 |
|
Sb7 .27745 .43403 .93941 .0209 .0281 .017 .0171 .0004 -.0031 -.0017 |
|
Sb8 .2994 .09129 .75116 .0233 .0251 .021 .0202 .0028 .0019 .0006 |
|
Sb9 .3259 .64833 .84667 .0200 .0251 .0153 .0180 -.0001 -.0015 -.0001 |
|
Sb10 .3889 .95737 .59170 .910 .0215 .0253 .0233 .0162 .0054 -.0022 -.0080 |
|
Pb13 .3889 .95737 .59170 .090 .0215 .0253 .0233 .0162 .0054 -.0022 -.0080 |
|
Sb11 .3986 .53266 .69370 .0201 .0225 .020 .0189 .0021 -.0036 -.0062 |
|
Sb12 .4466 .01837 .92107 .0234 .0256 .028 .0201 .0109 -.0092 -.0100 |
|
Sb13A .508 .8249 .4206 .56 .0173 |
|
Sb13B .475 .8316 .4249 .44 .0173 |
|
Cl 0 .5 .5 .020 .018 .015 .027 .003 -.007 .006 |
|
S2 .0135 .3901 .0306 .018 .019 .018 .015 .004 -.003 -.001 |
|
S3 .0163 .2929 .4964 .016 .021 .012 .016 .001 -.001 -.006 |
|
S4 .0504 .1407 .8286 .023 .027 .015 .022 .001 .002 .001 |
|
S5 .0587 .4716 .8246 .023 .021 .021 .026 -.001 -.002 -.004 |
|
S6 .0883 .6107 .3226 .018 .024 .022 .009 .001 -.002 -.003 |
|
S7 .1076 .1694 .3232 .017 .017 .023 .014 -.004 -.006 -.005 |
|
S8 .1224 .6836 .7710 .019 .026 .009 .021 .001 -.001 -.002 |
|
S9 .1447 .0081 .6763 .020 .024 .020 .015 .002 -.004 -.003 |
|
S10 .1941 .0273 .1695 .016 .020 .017 .012 .001 -.005 -.004 |
|
S11 .1990 .2194 .1119 .017 .021 .016 .014 .002 -.003 -.004 |
|
S12 .1982 .2300 .6428 .021 .037 .013 .017 .003 -.011 .001 |
|
S13 .2002 .6990 .1040 .017 .022 .014 .016 .001 -.006 .005 |
|
S14 .2186 .5589 .6111 .022 .029 .017 .020 .001 -.010 .002 |
|
S15 .2269 .8884 .5179 .020 .020 .022 .019 .002 -.005 -.001 |
|
S16 .2447 .1005 .9844 .022 .027 .017 .021 .006 .003 -.010 |
|
S17 .2547 .8976 .0174 .020 .023 .016 .020 .003 .002 -.003 |
|
S18 .2658 .1143 .4834 .023 .028 .020 .020 .002 -.004 -.003 |
|
S19 .3011 .3077 .8924 .018 .016 .024 .014 .002 -.004 -.003 |
|
S20 .3004 .7731 .8937 .017 .018 .016 .017 .001 -.003 -.006 |
|
S21 .3041 .9703 .8318 .016 .020 .016 .013 -.002 -.006 -.004 |
|
S22 .3198 .7707 .3543 .023 .036 .019 .017 .002 -.014 -.003 |
|
S23 .3413 .4421 .3905 .025 .027 .014 .030 -.001 .004 .003 |
|
S24 .3587 .9912 .3220 .024 .025 .024 .023 .001 -.007 .001 |
|
S25 .3941 .5282 .1750 .021 .023 .014 .026 .005 -.005 -.006 |
|
S26 .3950 .8351 .6721 .017 .021 .017 .015 .004 -.006 -.002 |
|
S27 .4055 .3158 .2318 .022 .024 .015 .023 .003 .003 -.004 |
|
S28 .4057 .3920 .6850 .017 .020 .019 .015 -.001 -.004 -.007 |
|
S29 .4561 .3902 .0275 .019 .023 .0134 .018 .002 -.003 -.001 |
|
S30 .4594 .8598 .1711 .021 .027 .020 .015 .001 -.002 -.003 |
|
S31 .4830 .7112 .5056 .017 .020 .022 .010 .004 -.004 -.002 |
|
|
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View JMOL 3-D Structure
|
| |
|
Dadsonite |
|
Makovicky E, Topa D, Mumme W G |
|
The Canadian Mineralogist 44 (2006) 1499-1512 |
|
The crystal structure of dadsonite |
|
Locality: Low Tatra Mountains, Slovakia |
|
Sample: 4-angstrom structure |
|
_database_code_amcsd 0006134 |
|
4.1382 17.394 19.071 96.442 90.113 90.775 P-1 |
|
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 .48704 .17595 .28094 .0213 .0234 .0212 .0193 -.0006 .0000 .0029 |
|
Pb2 .46610 .76339 .10512 .0229 .0229 .0280 .0181 -.0004 .0006 .0040 |
|
Pb3 .47037 .26952 .49481 .0238 .0250 .0234 .0221 -.0036 .0018 -.0010 |
|
Pb4 .50672 .11125 .07055 .0287 .0279 .0344 .0240 .0030 -.0006 .0040 |
|
Pb5 .45958 .65206 .27908 .0246 .0243 .0308 .0198 .0027 .0018 .0075 |
|
Sb1 .88034 .54324 .09268 .0155 .0194 .0169 .0115 -.0024 .0006 .0077 |
|
Sb2 .98781 .9657 .1967 .715 .0197 |
|
Pb6 .99357 .9634 .2084 .285 .0197 |
|
Sb3 .31642 .48052 .42005 .0229 .0230 .0264 .0204 -.0086 -.0040 .0092 |
|
Sb4 .84048 .40830 .24935 .0231 .0293 .0203 .0192 -.0029 .0062 .0010 |
|
Sb5 .00636 .85307 .35688 .0414 .0396 .0163 .069 .0014 .0089 .0093 |
|
Sb6 .10149 .32827 .07603 .0250 .0362 .0200 .0186 .0068 -.0057 .0001 |
|
Sb7 .98638 .0601 .4089 .49 .022 |
|
Sb8 .99359 .0661 .4392 .51 .023 |
|
Cl 0 0 0 .5 .096 |
|
S1 .973 .3986 .4835 .021 .026 .017 .021 -.004 .005 .006 |
|
S2 .992 .7232 .3907 .019 .021 .019 .018 .000 .001 .008 |
|
S3 .972 .7910 .0049 .018 .020 .019 .014 .000 .001 .005 |
|
S4 .995 .1956 .3940 .019 .018 .022 .016 -.001 -.001 .001 |
|
S5 .962 .6671 .1743 .019 .018 .021 .019 .001 -.003 .005 |
|
S6 .477 .6126 .0171 .022 .023 .021 .021 -.002 -.001 .001 |
|
S7 .488 .8162 .2697 .026 .042 .014 .023 -.000 .008 .004 |
|
S8 .999 .1091 .1811 .020 .020 .022 .018 -.000 -.001 .004 |
|
S9 .488 .9418 .1107 .051 .113 .014 .025 -.000 .007 -.002 |
|
S10 .463 .4913 .1770 .023 .027 .023 .018 -.001 -.001 .001 |
|
S11 .522 .2705 .1441 .023 .037 .014 .018 -.003 -.010 .002 |
|
S12 .499 .8901 .4707 .044 .097 .016 .018 -.003 .007 .001 |
|
S13 .489 .0288 .3249 .037 .070 .016 .025 -.002 .001 .005 |
|
S14 .941 .5285 .3311 .016 .020 .015 .014 .001 -.002 .004 |
|
S15 .419 .3592 .3285 .023 .031 .017 .020 -.003 .003 -.001 |
|
|
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View JMOL 3-D Structure
|
| |
|
Cupromakovickyite |
| |
Topa D, Makovicky E, Balic-Zunic T |
| |
The Canadian Mineralogist 46 (2008) 515-523 |
|
What is the reason for the doubled unit-cell volumes of |
|
copper-lead-rich pavonite homologues? The crystal structures of |
|
cupromakovickyite and makovickyite |
|
Locality: Baita Bihor, Romania |
|
_database_code_amcsd 0006187 |
|
13.405 4.016 29.949 90 99.989 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .34910 0 .46675 .834 .0211 .0187 .0222 .0218 0 .0020 0 |
|
Ag1 .34910 0 .46675 .166 .0211 .0187 .0222 .0218 0 .0020 0 |
|
Bi2 .44698 .5 .09518 .0179 .0197 .0209 .0133 0 .0033 0 |
|
Bi3 .64982 0 .03264 .812 .0217 .0179 .0215 .0254 0 .0028 0 |
|
Ag3 .64982 0 .03264 .188 .0217 .0179 .0215 .0254 0 .0028 0 |
|
Bi4 .55023 .5 .40700 .834 .0204 .0207 .0232 .0170 0 .0029 0 |
|
Ag4 .55023 .5 .40700 .166 .0204 .0207 .0232 .0170 0 .0029 0 |
|
Bi5 .23915 0 .19489 .0207 .0154 .0266 .0179 0 -.0029 0 |
|
Pb .74078 0 .32562 .0317 .0354 .0229 .0393 0 .0131 0 |
|
Cu1 -.01975 .5 .21158 .0310 .017 .033 .040 0 -.005 0 |
|
Cu2 .45067 .5 .27437 .0288 .021 .022 .040 0 -.006 0 |
|
S1 .5 .5 0 .021 .023 .023 .015 0 -.0004 0 |
|
S2 .40887 0 .38753 .018 .014 .020 .017 0 -.0009 0 |
|
S3 .29366 0 .06067 .025 .021 .019 .035 0 .0003 0 |
|
S4 .20840 .5 .43626 .024 .013 .016 .038 0 .005 0 |
|
S5 .59356 0 .11343 .016 .017 .013 .015 0 -.011 0 |
|
S6 .5 .5 .5 .023 .025 .021 .019 0 -.003 0 |
|
S7 .14852 .5 .23335 .0134 .008 .017 .015 0 .002 0 |
|
S8 .40537 .5 .17803 .0168 .019 .018 .0152 0 .008 0 |
|
S9 .36457 0 .27147 .0123 .012 .015 .010 0 .002 0 |
|
S10 .59796 .5 .32498 .0153 .013 .019 .015 0 .004 0 |
|
|
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|
| |
|
Makovickyite |
|
Topa D, Makovicky E, Balic-Zunic T |
| |
The Canadian Mineralogist 46 (2008) 515-523 |
|
What is the reason for the doubled unit-cell volumes of |
|
copper-lead-rich pavonite homologues? The crystal structures of |
|
cupromakovickyite and makovickyite |
|
Locality: Felbertal, Austria |
|
_database_code_amcsd 0006188 |
|
13.239 4.0547 14.667 90 99.397 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .5 .189 .5 .384 .068 .020 .14 .043 0 .0002 0 |
|
Cu2 -.0168 .0 .4448 .147 .070 .032 .09 .09 0 .006 0 |
|
Ag .5 .0 .5 .280 .092 .10 .048 .10 0 .07 0 |
|
Bi1 .15070 .0 .06591 .800 .0270 .0248 .0273 .0285 0 .0038 0 |
|
Ag1 .15070 .0 .06591 .200 .0270 .0248 .0273 .0285 0 .0038 0 |
|
Bi2 .44756 .0 .19061 .0277 .0287 .0292 .0252 0 .0041 0 |
|
Bi3 .24868 .0 .62393 .0311 .0342 .0325 .0240 0 .0025 0 |
|
S1 .5 .0 0 .0246 .028 .028 .017 0 .0008 0 |
|
S2 .09017 .0 .22856 .0261 .023 .030 .024 0 .0008 0 |
|
S3 .14326 .0 .45866 .0229 .022 .027 .018 0 .0006 0 |
|
S4 .20751 .0 .87555 .0327 .024 .024 .047 0 .0032 0 |
|
S5 .39748 .0 .35899 .0283 .033 .026 .029 0 .014 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chovanite |
| |
Makovicky E, Topa D |
| |
The Canadian Mineralogist 47 (2009) 3-24 |
|
The crystal structure of sulfosalts with the boxwork architecture and |
|
their new representative, Pb15-2xSb14+2xS36Ox |
|
Locality: Klacianka Sb deposit, Low Tatra Mountains, Slovakia |
|
_database_code_amcsd 0006272 |
|
48.293 4.1107 34.223 90 106.168 90 C2/m |
|
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 .0228 .5 .1648 .59 .041 .042 .038 .051 0 .029 0 |
|
Sb1 .013 .5 .1579 .41 .046 .031 .045 .076 0 .036 0 |
|
Pb2 .0443 0 .3828 .041 .027 .027 .071 0 .017 0 |
|
Pb3 .0865 .5 .0997 .78 .037 |
|
Sb2 .0855 .5 .0886 .22 .041 |
|
Pb4 .1127 0 .3191 .036 .046 .024 .039 0 .011 0 |
|
Pb5 .1355 0 .4541 .034 .036 .020 .039 0 -.002 0 |
|
Pb6 .1698 0 .1191 .038 .035 .032 .040 0 .001 0 |
|
Pb7 .1756 0 .2454 .051 .060 .031 .062 0 .018 0 |
|
Pb8 .2849 .5 .2961 .042 .058 .028 .036 0 .010 0 |
|
Pb9 .3248 .5 .4209 .028 .032 .019 .032 0 .006 0 |
|
Pb10 .3490 .5 .0110 .039 .042 .034 .039 0 .010 0 |
|
Pb11 .3645 .5 .1446 .042 .049 .030 .058 0 .032 0 |
|
Pb12 .3684 .5 .2751 .060 .065 .030 .069 0 -.009 0 |
|
Pb13 .4551 .5 .3331 .029 .028 .022 .035 0 .006 0 |
|
Sb3 .0073 0 .0537 .89 .065 .049 .108 .045 0 .027 0 |
|
Pb14 .0073 0 .0537 .11 .065 .049 .108 .045 0 .027 0 |
|
Sb4 .0326 .5 .2693 .05 .066 .035 .041 0 -.007 0 |
|
Sb5 .0753 .5 .5034 .042 .035 .057 .043 0 .024 0 |
|
Sb6 .1033 .5 .2000 .55 .044 |
|
Sb7 .0917 .5 .2087 .45 .034 |
|
Sb8 .1863 .5 .3860 .031 .028 .027 .045 0 .019 0 |
|
Sb9 .2237 .5 .0589 .053 .041 .013 .106 0 .020 0 |
|
Sb10 .2402 .5 .1859 .043 .041 .028 .045 0 -.012 0 |
|
Sb11 .2447 0 .3659 .050 .067 .033 .064 0 .043 0 |
|
Sb12 .2830 0 .4924 .037 .038 .020 .066 0 .034 0 |
|
Sb13 .2931 0 .0692 .039 .031 .021 .067 0 .014 0 |
|
Sb14 .3075 0 .1991 .042 .023 .060 .042 0 .008 0 |
|
Sb15 .3973 0 .3861 .043 .054 .045 .037 0 .025 0 |
|
Sb16 .4294 .5 .0094 .077 .037 .153 .041 0 .013 0 |
|
Pb15 .4404 .5 .1103 .50 .037 |
|
Sb17 .4429 .5 .1194 .50 .040 |
|
Sb18 .4915 0 .4481 .32 .014 |
|
Sb19 .4852 0 .4396 .64 .040 |
|
Sb20 .4522 0 .2229 .47 .051 .083 .033 .052 0 .040 0 |
|
Pb16 .4522 0 .2229 .53 .051 .083 .033 .052 0 .040 0 |
|
S1 .0082 0 .2933 .047 .091 .013 .032 0 .007 0 |
|
S2 .0402 .5 .0295 .037 .013 .038 .044 0 -.020 0 |
|
S3 .0457 0 .1203 .031 .007 .016 .073 0 .014 0 |
|
S4 .0687 0 .2351 .061 .055 .105 .036 0 .036 0 |
|
S5 .0694 .5 .3329 .029 .049 .016 .025 0 .015 0 |
|
S6 .0840 .5 .4343 .021 .040 .025 .001 0 .010 0 |
|
S7 .1116 0 .5267 .038 |
|
S8 .1270 0 .1746 .040 .021 .053 .049 0 .014 0 |
|
S9 .1365 .5 .3889 .023 .017 .002 .033 0 -.020 0 |
|
S10 .1381 .5 .2654 .046 .062 .035 .036 0 .004 0 |
|
S11 .1725 .5 .0550 .039 .093 .015 .013 0 .024 0 |
|
S12 .1780 0 .3350 .086 .117 .062 .115 0 .095 0 |
|
S13 .1903 .5 .1826 .046 .090 .008 .065 0 .065 0 |
|
S14 .2139 0 -.0004 .055 .046 .063 .036 0 -.022 0 |
|
S15 .2288 0 .1206 .060 .053 .046 .051 0 -.035 0 |
|
S16 .2306 .5 .3133 .067 |
|
S17 .2464 0 .2376 .043 .030 .073 .033 0 .020 0 |
|
S18 .2691 .5 .4349 .047 |
|
S19 .2952 0 .3588 .021 .028 .025 .010 0 .003 0 |
|
S20 .3001 .5 .5499 .051 .031 .064 .053 0 .004 0 |
|
S21 .3023 .5 .1233 .066 .128 .052 .014 0 .0144 0 |
|
S22 .3241 0 .2751 .043 .050 .035 .030 0 -.013 0 |
|
S23 .3320 0 .4844 .024 .010 .004 .057 0 .006 0 |
|
S24 .3445 0 .0729 .028 .027 .011 .056 0 .030 0 |
|
S25 .3581 0 .2000 .029 .030 .014 .044 0 .011 0 |
|
S26 .3627 .5 .3589 .035 |
|
S27 .3911 .5 -.0580 .037 .028 .051 .033 0 .009 0 |
|
S28 .4013 0 .0356 .087 |
|
S29 .4107 0 .3206 .031 .008 .026 .043 0 -.022 0 |
|
S30 .4175 0 .1472 .027 .028 .030 .026 0 .013 0 |
|
S31 .4222 .5 .2348 .033 .005 .017 .064 0 -.0142 0 |
|
S32 .4444 .5 .4139 .029 .033 .050 .005 0 .006 0 |
|
S33 .4795 0 .0893 .031 .044 .033 .023 0 .020 0 |
|
S34 .4857 .5 .1787 .025 |
|
S35 .4991 0 .3757 .056 .084 .016 .034 0 -.040 0 |
|
S36 .5281 .5 .4679 .062 .013 .092 .076 0 .005 0 |
|
O .3068 .5 .2154 .59 .023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chovanite |
| |
Makovicky E, Topa D |
| |
The Canadian Mineralogist 47 (2009) 3-24 |
|
The crystal structure of sulfosalts with the boxwork architecture and |
|
their new representative, Pb15-2xSb14+2xS36Ox |
|
Locality: Klacianka Sb deposit, Low Tatra Mountains, Slovakia |
|
_database_code_amcsd 0006272 |
|
48.293 4.1107 34.223 90 106.168 90 C2/m |
|
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 .0228 .5 .1648 .59 .041 .042 .038 .051 0 .029 0 |
|
Sb1 .013 .5 .1579 .41 .046 .031 .045 .076 0 .036 0 |
|
Pb2 .0443 0 .3828 .041 .027 .027 .071 0 .017 0 |
|
Pb3 .0865 .5 .0997 .78 .037 |
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Sb2 .0855 .5 .0886 .22 .041 |
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Pb4 .1127 0 .3191 .036 .046 .024 .039 0 .011 0 |
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Pb5 .1355 0 .4541 .034 .036 .020 .039 0 -.002 0 |
|
Pb6 .1698 0 .1191 .038 .035 .032 .040 0 .001 0 |
|
Pb7 .1756 0 .2454 .051 .060 .031 .062 0 .018 0 |
|
Pb8 .2849 .5 .2961 .042 .058 .028 .036 0 .010 0 |
|
Pb9 .3248 .5 .4209 .028 .032 .019 .032 0 .006 0 |
|
Pb10 .3490 .5 .0110 .039 .042 .034 .039 0 .010 0 |
|
Pb11 .3645 .5 .1446 .042 .049 .030 .058 0 .032 0 |
|
Pb12 .3684 .5 .2751 .060 .065 .030 .069 0 -.009 0 |
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Pb13 .4551 .5 .3331 .029 .028 .022 .035 0 .006 0 |
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Sb3 .0073 0 .0537 .89 .065 .049 .108 .045 0 .027 0 |
|
Pb14 .0073 0 .0537 .11 .065 .049 .108 .045 0 .027 0 |
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Sb4 .0326 .5 .2693 .05 .066 .035 .041 0 -.007 0 |
|
Sb5 .0753 .5 .5034 .042 .035 .057 .043 0 .024 0 |
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Sb6 .1033 .5 .2000 .55 .044 |
|
Sb7 .0917 .5 .2087 .45 .034 |
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Sb8 .1863 .5 .3860 .031 .028 .027 .045 0 .019 0 |
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Sb9 .2237 .5 .0589 .053 .041 .013 .106 0 .020 0 |
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Sb10 .2402 .5 .1859 .043 .041 .028 .045 0 -.012 0 |
|
Sb11 .2447 0 .3659 .050 .067 .033 .064 0 .043 0 |
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Sb12 .2830 0 .4924 .037 .038 .020 .066 0 .034 0 |
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Sb13 .2931 0 .0692 .039 .031 .021 .067 0 .014 0 |
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Sb14 .3075 0 .1991 .042 .023 .060 .042 0 .008 0 |
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Sb15 .3973 0 .3861 .043 .054 .045 .037 0 .025 0 |
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Sb16 .4294 .5 .0094 .077 .037 .153 .041 0 .013 0 |
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Pb15 .4404 .5 .1103 .50 .037 |
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Sb17 .4429 .5 .1194 .50 .040 |
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Sb18 .4915 0 .4481 .32 .014 |
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Sb19 .4852 0 .4396 .64 .040 |
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Sb20 .4522 0 .2229 .47 .051 .083 .033 .052 0 .040 0 |
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Pb16 .4522 0 .2229 .53 .051 .083 .033 .052 0 .040 0 |
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S1 .0082 0 .2933 .047 .091 .013 .032 0 .007 0 |
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S2 .0402 .5 .0295 .037 .013 .038 .044 0 -.020 0 |
|
S3 .0457 0 .1203 .031 .007 .016 .073 0 .014 0 |
|
S4 .0687 0 .2351 .061 .055 .105 .036 0 .036 0 |
|
S5 .0694 .5 .3329 .029 .049 .016 .025 0 .015 0 |
|
S6 .0840 .5 .4343 .021 .040 .025 .001 0 .010 0 |
|
S7 .1116 0 .5267 .038 |
|
S8 .1270 0 .1746 .040 .021 .053 .049 0 .014 0 |
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S9 .1365 .5 .3889 .023 .017 .002 .033 0 -.020 0 |
|
S10 .1381 .5 .2654 .046 .062 .035 .036 0 .004 0 |
|
S11 .1725 .5 .0550 .039 .093 .015 .013 0 .024 0 |
|
S12 .1780 0 .3350 .086 .117 .062 .115 0 .095 0 |
|
S13 .1903 .5 .1826 .046 .090 .008 .065 0 .065 0 |
|
S14 .2139 0 -.0004 .055 .046 .063 .036 0 -.022 0 |
|
S15 .2288 0 .1206 .060 .053 .046 .051 0 -.035 0 |
|
S16 .2306 .5 .3133 .067 |
|
S17 .2464 0 .2376 .043 .030 .073 .033 0 .020 0 |
|
S18 .2691 .5 .4349 .047 |
|
S19 .2952 0 .3588 .021 .028 .025 .010 0 .003 0 |
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S20 .3001 .5 .5499 .051 .031 .064 .053 0 .004 0 |
|
S21 .3023 .5 .1233 .066 .128 .052 .014 0 .0144 0 |
|
S22 .3241 0 .2751 .043 .050 .035 .030 0 -.013 0 |
|
S23 .3320 0 .4844 .024 .010 .004 .057 0 .006 0 |
|
S24 .3445 0 .0729 .028 .027 .011 .056 0 .030 0 |
|
S25 .3581 0 .2000 .029 .030 .014 .044 0 .011 0 |
|
S26 .3627 .5 .3589 .035 |
|
S27 .3911 .5 -.0580 .037 .028 .051 .033 0 .009 0 |
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S28 .4013 0 .0356 .087 |
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S29 .4107 0 .3206 .031 .008 .026 .043 0 -.022 0 |
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S30 .4175 0 .1472 .027 .028 .030 .026 0 .013 0 |
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S31 .4222 .5 .2348 .033 .005 .017 .064 0 -.0142 0 |
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S32 .4444 .5 .4139 .029 .033 .050 .005 0 .006 0 |
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S33 .4795 0 .0893 .031 .044 .033 .023 0 .020 0 |
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S34 .4857 .5 .1787 .025 |
|
S35 .4991 0 .3757 .056 .084 .016 .034 0 -.040 0 |
|
S36 .5281 .5 .4679 .062 .013 .092 .076 0 .005 0 |
|
O .3068 .5 .2154 .59 .023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Proudite |
|
Mumme W G, Topa D, Makovicky E |
| |
The Canadian Mineralogist 47 (2009) 25-38 |
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Proudite: A redetermination of its crystal structure and the |
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proudite-felbertalite homologous series |
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Locality: Tennant Creek, Australia |
|
_database_code_amcsd 0006273 |
|
31.8143 4.1002 36.560 90 109.266 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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Bi1 .15135 .5 .15886 .0225 .0319 .0205 .0139 0 .0059 0 |
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Pb2 -.14999 0 -.34867 .0262 .0381 .0221 .0171 0 .0075 0 |
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Pb3 .09015 0 .05781 .0223 .0341 .0185 .0137 0 .0071 0 |
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Pb4 .21068 0 .25878 .0251 .0362 .0211 .0166 0 .0068 0 |
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Bi5 -.08572 .5 -.24695 .0274 .0414 .0223 .0178 0 .0088 0 |
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Bi6 .27379 .5 .36010 .0249 .0365 .0211 .0149 0 .0054 0 |
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Pb7 -.02670 0 -.14503 .0244 .0354 .0213 .0165 0 .0085 0 |
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Pb8 -.21338 .5 -.44900 .0257 .0394 .0206 .0168 0 .0088 0 |
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Bi9 .33998 0 .46164 .0228 .0318 .0205 .0139 0 .0048 0 |
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Pb10 .03458 .5 -.04399 .0252 .0373 .0199 .0164 0 .0063 0 |
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Bi11 .21576 0 .03788 .0294 .0389 .0269 .0208 0 .0078 0 |
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Pb12 .28870 0 .16044 .0299 .0442 .0231 .0207 0 .0080 0 |
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Bi13 .06023 .5 -.39925 .0339 .061 .0216 .0195 0 .0141 0 |
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Bi14 .16338 0 -.08141 .0277 .040 .0238 .0169 0 .0062 0 |
|
Bi15 .07985 0 -.19458 .0314 .043 .0254 .0253 0 .0107 0 |
|
Bi16 .01710 0 -.31776 .0298 .044 .0253 .0194 0 .0097 0 |
|
Bi17 .36702 0 .27271 .0312 .050 .0237 .0178 0 .0087 0 |
|
Pb18 .41899 .5 .56515 .0506 .091 .035 .0221 0 .0129 0 |
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Cu1 .0450 0 .5059 .052 .059 .065 .033 0 .018 0 |
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Se1 .1197 .5 .0175 .85 .024 .033 .021 .021 0 .012 0 |
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S1 .1197 .5 .0175 .15 .024 .033 .021 .021 0 .012 0 |
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Se2 .1761 0 .1161 .64 .018 .024 .017 .011 0 .005 0 |
|
S2 .1761 0 .1161 .36 .018 .024 .017 .011 0 .005 0 |
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Se .2363 .5 .2137 .81 .024 .031 .022 .023 0 .011 0 |
|
S3 .2363 .5 .2137 .19 .024 .031 .022 .023 0 .011 0 |
|
Se4 .2969 0 .3170 .61 .027 .035 .021 .025 0 .010 0 |
|
S4 .2969 0 .3170 .39 .027 .035 .021 .025 0 .010 0 |
|
Se5 .0600 0 -.0866 .78 .028 .031 .027 .026 0 .011 0 |
|
S5 .0600 0 -.0866 .22 .028 .031 .027 .026 0 .011 0 |
|
Se6 -.0009 .5 -.1874 .72 .030 .037 .026 .028 0 .012 0 |
|
S6 -.0009 .5 -.1874 .28 .030 .037 .026 .028 0 .012 0 |
|
Se7 -.0629 0 -.2884 .44 .031 .035 .027 .032 0 .014 0 |
|
S7 -.0629 0 -.2884 .56 .031 .035 .027 .032 0 .014 0 |
|
Se8 .3591 .5 .4141 .75 .026 .036 .024 .017 0 .007 0 |
|
S8 .3591 .5 .4141 .25 .026 .036 .024 .017 0 .007 0 |
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Se9 .1792 .5 .3026 .11 .021 .021 .025 .014 0 .002 0 |
|
S9 .1792 .5 .3026 .89 .021 .021 .025 .014 0 .002 0 |
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Se10 0 0 0 .04 .016 .019 .014 .013 0 .003 0 |
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S10 0 0 0 .46 .016 .019 .014 .013 0 .003 0 |
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Se11 .1182 0 .2016 .94 .016 .022 .016 .013 0 .008 0 |
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S11 .1182 0 .2016 .06 .016 .022 .016 .013 0 .008 0 |
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Se12 .0569 .5 .1003 .017 .018 .017 .017 0 .007 0 |
|
Se13 -.1272 .5 -.3941 .28 .020 .034 .012 .018 0 .015 0 |
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S13 -.1272 .5 -.3941 .72 .020 .034 .012 .018 0 .015 0 |
|
Se14 -.2416 0 -.4042 .01 .017 .031 .012 .007 0 .004 0 |
|
S14 -.2416 0 -.4042 .99 .017 .031 .012 .007 0 .004 0 |
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Se15 .3194 .5 .5095 .12 .019 .040 .012 .012 0 .017 0 |
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S15 .3194 .5 .5095 .88 .019 .040 .012 .012 0 .017 0 |
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Se16 .1326 .5 -.1388 .16 .029 .037 .021 .024 0 .003 0 |
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S16 .1326 .5 -.1388 .84 .029 .037 .021 .024 0 .003 0 |
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Se17 .0539 .5 -.2587 .14 .028 .039 .033 .010 0 .005 0 |
|
S17 .0539 .5 -.2587 .86 .028 .039 .033 .010 0 .005 0 |
|
Se18 -.0123 .5 -.3745 .24 .024 .030 .023 .017 0 .003 0 |
|
S18 -.0123 .5 -.3745 .76 .024 .030 .023 .017 0 .003 0 |
|
Se19 .0966 0 -.3298 .20 .028 .040 .021 .019 0 .005 0 |
|
S19 .0966 0 -.3298 .80 .028 .040 .021 .019 0 .005 0 |
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Se20 .2393 0 -.0967 .13 .023 .033 .023 .009 0 .003 0 |
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S20 .2393 0 -.0967 .87 .023 .033 .023 .009 0 .003 0 |
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S21 .1574 0 -.2130 .021 .019 .019 .022 0 .005 0 |
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Se22 .2027 .5 -.0261 .11 .030 .040 .031 .020 0 .010 0 |
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S22 .2027 .5 -.0261 .89 .030 .040 .031 .020 0 .010 0 |
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Se23 .4236 0 .5063 .05 .016 .020 .016 .006 0 -.001 0 |
|
S23 .4236 0 .5063 .95 .016 .020 .016 .006 0 -.001 0 |
|
Se24 -.0168 0 .4447 .08 .031 .043 .027 .023 0 .009 0 |
|
S24 -.0168 0 .4447 .92 .031 .043 .027 .023 0 .009 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cannizzarite |
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Topa D, Makovicky E, Dittrich H |
| |
The Canadian Mineralogist 48 (2010) 483-495 |
|
The crystal structure of 7H:12Q cannizzarite from Vulcano, Italy |
|
Locality: Vulcano, Italy |
|
_database_code_amcsd 0006281 |
|
38.86 4.090 39.83 90 102.30 90 P2_1/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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PbMe1 .0318 .75 .2191 .023 .018 .020 .027 0 -.002 0 |
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PbMe2 .0098 .25 .3147 .027 .042 .020 .016 0 -.001 0 |
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BiMe3 .1050 .75 .3093 .020 .021 .017 .020 0 .001 0 |
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BiMe4 .1027 .25 .3970 .020 .024 .027 .008 0 .001 0 |
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PbMe5 .1962 .75 .3929 .028 .033 .029 .024 0 .010 0 |
|
PbMe6 .1749 .25 .4883 .030 .025 .032 .035 0 .012 0 |
|
BiMe7 .2681 .75 .4830 .025 .017 .027 .030 0 .005 0 |
|
PbMe8 .2633 .25 .5737 .031 .031 .028 .034 0 .004 0 |
|
PbMe9 .3643 .75 .5541 .034 .046 .034 .019 0 .002 0 |
|
BiMe10 .3508 .25 .6447 .030 .047 .023 .019 0 .004 0 |
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PbMe11 .4450 .75 .6420 .5 .035 .043 .031 .026 0 -.002 0 |
|
BiMe11 .4450 .75 .6420 .5 .035 .043 .031 .026 0 -.002 0 |
|
PbMe12 .4252 .25 .7344 .026 .026 .027 .018 0 -.011 0 |
|
PbMe13 .4751 .25 .2800 .5 .031 .027 .025 .033 0 -.011 0 |
|
BiMe13 .4751 .25 .2800 .5 .031 .027 .025 .033 0 -.011 0 |
|
BiMe14 .4793 .75 .1903 .022 .023 .018 .026 0 .007 0 |
|
PbMe15 .3869 .25 .1963 .026 .016 .024 .037 0 .002 0 |
|
PbMe16 .4070 .75 .1001 .027 .031 .017 .031 0 .004 0 |
|
BiMe17 .3134 .25 .1056 .020 .017 .013 .030 0 .003 0 |
|
BiMe18 .3158 .75 .0172 .027 .030 .011 .037 0 .002 0 |
|
PbMe19 .2195 .25 .0253 .028 .037 .019 .031 0 .014 0 |
|
PbMe20 .2410 .75 .9318 .021 .015 .013 .033 0 -.001 0 |
|
BiMe21 .1474 .25 .9349 .019 .020 .010 .027 0 .005 0 |
|
PbMe22 .1566 .75 .8439 .027 .028 .016 .035 0 .001 0 |
|
PbMe23 .0550 .25 .8664 .023 .032 .017 .015 0 -.010 0 |
|
BiMe24 .0617 .75 .7755 .020 .020 .019 .018 0 -.002 0 |
|
PbMe25 .0415 .25 .9811 .014 .011 .006 .021 0 -.007 0 |
|
BiMe26 .0304 .25 .0867 .014 .010 .012 .015 0 -.007 0 |
|
BiMe27 .1176 .75 .0504 .014 .013 .006 .018 0 -.008 0 |
|
PbMe28 .1036 .75 .1552 .5 .018 .016 .007 .025 0 -.011 0 |
|
BiMe28 .1036 .75 .1552 .5 .018 .016 .007 .025 0 -.011 0 |
|
PbMe29 .1869 .25 .1244 .5 .015 .016 .008 .019 0 -.001 0 |
|
BiMe29 .1869 .25 .1244 .5 .015 .016 .008 .019 0 -.001 0 |
|
PbMe30 .1701 .25 .2290 .5 .020 .016 .011 .029 0 -.004 0 |
|
BiMe30 .1701 .25 .2290 .5 .020 .016 .011 .029 0 -.004 0 |
|
PbMe31 .2593 .75 .1974 .5 .016 .021 .008 .016 0 -.002 0 |
|
BiMe31 .2593 .75 .1974 .5 .016 .021 .008 .016 0 -.002 0 |
|
PbMe32 .2406 .75 .3019 .017 .012 .016 .018 0 -.004 0 |
|
BiMe33 .3253 .25 .2724 .017 .011 .011 .024 0 -.005 0 |
|
PbMe34 .3089 .25 .3767 .5 .014 .005 .019 .013 0 -.008 0 |
|
BiMe34 .3089 .25 .3767 .5 .014 .005 .019 .013 0 -.008 0 |
|
PbMe35 .3969 .75 .3424 .016 .009 .019 .015 0 -.006 0 |
|
PbMe36 .3847 .75 .4474 .5 .016 .019 .022 .005 0 .002 0 |
|
BiMe36 .3847 .75 .4474 .5 .016 .019 .022 .005 0 .002 0 |
|
PbMe37 .4679 .25 .4122 .019 .015 .016 .021 0 -.007 0 |
|
BiMe38 .4567 .25 .5173 .017 .013 .028 .006 0 -.006 0 |
|
BiMe39 .4572 .75 .0147 .020 .022 .015 .022 0 .006 0 |
|
BiMe40 .4751 .75 .9101 .024 .029 .015 .025 0 .001 0 |
|
PbMe41 .3868 .25 .9428 .5 .021 .025 .017 .024 0 .008 0 |
|
BiMe41 .3868 .25 .9428 .5 .021 .025 .017 .024 0 .008 0 |
|
PbMe42 .4012 .25 .8375 .5 .023 .024 .018 .026 0 -.001 0 |
|
BiMe42 .4012 .25 .8375 .5 .023 .024 .018 .026 0 -.001 0 |
|
PbMe43 .3180 .75 .8708 .5 .019 .025 .019 .015 0 .009 0 |
|
BiMe43 .3180 .75 .8708 .5 .019 .025 .019 .015 0 .009 0 |
|
BiMe44 .3301 .75 .7655 .022 .027 .016 .024 0 .009 0 |
|
BiMe45 .2443 .25 .8012 .020 .020 .019 .027 0 .005 0 |
|
PbMe46 .2545 .25 .6940 .5 .024 .032 .028 .014 0 .007 0 |
|
BiMe46 .2545 .25 .6940 .5 .024 .032 .028 .014 0 .007 0 |
|
PbMe47 .1720 .75 .7329 .028 .024 .028 .031 0 .001 0 |
|
BiMe48 .1827 .75 .6275 .027 .025 .031 .027 0 .006 0 |
|
BiMe49 .0951 .25 .6638 .030 .031 .028 .037 0 .016 0 |
|
BiMe50 .1098 .25 .5594 .024 .026 .038 .013 0 .013 0 |
|
PbMe51 .0261 .75 .5893 .032 .030 .039 .027 0 .009 0 |
|
BiMe52 .0448 .75 .4855 .032 .033 .042 .024 0 .012 0 |
|
S1 .0616 .25 .2743 .041 |
|
S2 .0624 .75 .3544 .013 |
|
S3 .1465 .25 .3532 .017 |
|
S4 .1460 .75 .4334 .000 |
|
S5 .2260 .25 .4450 .019 |
|
S6 .2243 .75 .5250 .020 |
|
S7 .3067 .25 .5241 .021 |
|
S8 .3178 .75 .5999 .008 |
|
S9 .3969 .25 .6044 .013 |
|
S10 .3958 .75 .6831 .015 |
|
S11 .4751 .25 .6912 .036 |
|
S12 .5175 .25 .2343 .009 |
|
S13 .4351 .75 .2332 .004 |
|
S14 .4365 .25 .1543 .018 |
|
S15 .3564 .75 .1430 .015 |
|
S16 .3578 .25 .0608 .008 |
|
S17 .2736 .75 .0645 .013 |
|
S18 .2720 .25 .9862 .023 |
|
S19 .1924 .75 .9734 .000 |
|
S20 .1956 .25 .8945 .000 |
|
S21 .1138 .75 .8923 .014 |
|
S22 .0988 .25 .8173 .020 |
|
S23 .0192 .75 .8194 .002 |
|
S24 .9833 .75 .2601 .020 |
|
S25 .0398 .75 .9300 .57 .024 |
|
Se25 .0398 .75 .9300 .43 .024 |
|
S26 .0359 .75 .0338 .020 |
|
S27 .0291 .75 .1336 .86 .014 |
|
Se27 .0291 .75 .1336 .14 .014 |
|
S28 .1193 .25 .0029 .69 .020 |
|
Se28 .1193 .25 .0029 .31 .020 |
|
S29 .1126 .25 .1014 .008 |
|
S30 .0965 .25 .2016 .62 .022 |
|
Se30 .0965 .25 .2016 .38 .022 |
|
S31 .1876 .75 .0742 .77 .027 |
|
Se31 .1876 .75 .0742 .23 .027 |
|
S32 .1793 .75 .1765 .013 |
|
S33 .1668 .75 .2745 .90 .016 |
|
Se33 .1668 .75 .2745 .10 .016 |
|
S34 .2624 .25 .1523 .012 |
|
S35 .2479 .25 .2497 .005 |
|
S36 .2367 .25 .3512 .73 .023 |
|
Se36 .2367 .25 .3512 .27 .023 |
|
S37 .3303 .75 .2251 .67 .025 |
|
Se37 .3303 .75 .2251 .33 .025 |
|
S38 .3160 .75 .3239 .008 |
|
S39 .3085 .75 .4246 .76 .025 |
|
Se39 .3085 .75 .4246 .24 .025 |
|
S40 .3971 .25 .2946 .001 |
|
S41 .3893 .25 .3946 .89 .021 |
|
Se41 .3893 .25 .3946 .11 .021 |
|
S42 .3858 .25 .4976 .006 |
|
S43 .4719 .75 .3637 .44 .031 |
|
Se43 .4719 .75 .3637 .56 .031 |
|
S44 .4606 .75 .4665 .007 |
|
S45 .4546 .75 .5645 .015 |
|
S46 .4546 .25 .0622 .003 |
|
S47 .4637 .25 .9639 .022 |
|
S48 .4772 .25 .8628 .023 |
|
S49 .3859 .75 .9904 .009 |
|
S50 .3960 .75 .8891 .031 |
|
S51 .4001 .75 .7877 .009 |
|
S52 .3134 .25 .9189 .82 .012 |
|
Se52 .3134 .25 .9189 .18 .012 |
|
S53 .3238 .25 .8201 .029 |
|
S54 .3307 .25 .7193 .007 |
|
S55 .2444 .75 .8478 .004 |
|
S56 .2481 .75 .7461 .019 |
|
S57 .2554 .75 .6449 .004 |
|
S58 .1728 .25 .7844 .031 |
|
S59 .1770 .25 .6795 .026 |
|
S60 .1820 .25 .5802 .78 .034 |
|
Se60 .1820 .25 .5802 .22 .034 |
|
S61 .0928 .75 .7101 .89 .015 |
|
Se61 .0928 .75 .7101 .11 .015 |
|
S62 .1058 .75 .6107 .041 |
|
S63 .1157 .75 .5157 .015 |
|
S64 .0271 .25 .6402 .035 |
|
S65 .0315 .25 .5394 .057 |
|
S66 .0485 .25 .4401 .026 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cosalite |
|
Topa D, Makovicky E |
| |
The Canadian Mineralogist 48 (2010) 1081-1107 |
|
The crystal chemistry of cosalite based on new electron-microprobe data and |
|
single-crystal determination of the structure |
|
Note: Sample 1 |
|
Locality: Felbertal scheelite deposit, Hobe Tauern Window, Pinzgau, Austria |
|
_database_code_amcsd 0017816 |
|
23.870 4.0647 19.130 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .15479 .75 .98271 .0366 .0368 .0390 .0339 0 -.0009 0 |
|
Bi2 .30228 .75 .09385 .0391 .0382 .0418 .0371 0 -.0001 0 |
|
PbMe3 .01046 .25 .09059 .0404 .0405 .0407 .0399 0 -.0013 0 |
|
Bi4 .17144 .25 .18658 .0381 .0387 .0405 .0352 0 .0009 0 |
|
PbMe1 .04032 .75 .27444 .904 .0417 .0407 .0430 .0414 0 .0002 0 |
|
BiMe1 .04032 .75 .27444 .082 .0417 .0407 .0430 .0414 0 .0002 0 |
|
Ag1 .04032 .75 .27444 .014 .0417 .0407 .0430 .0414 0 .0002 0 |
|
BiMe2 .43393 .25 .03475 .918 .0447 .0415 .0458 .0467 0 -.0018 0 |
|
Pb3 .20582 .75 .38343 .0477 .0476 .0452 .0504 0 .0005 0 |
|
Pb4 .37334 .75 .29318 .0471 .0507 .0482 .0424 0 .0007 0 |
|
Cu1 .419 .25 .978 .057 .05 .08 .04 .04 0 .02 0 |
|
Cu2 .452 .25 .110 .075 .09 .05 .07 .16 0 .03 0 |
|
S1 .1389 .25 .4776 .041 .042 .043 .037 0 -.001 0 |
|
S2 .2293 .25 .0296 .039 .037 .039 .042 0 -.005 0 |
|
S3 .9983 .75 .4140 .046 .048 .045 .045 0 .004 0 |
|
S4 .3636 .25 .1524 .040 .040 .044 .036 0 -.003 0 |
|
S5 .4642 .25 .2819 .039 .038 .037 .041 0 -.005 0 |
|
S6 .2380 .75 .2287 .036 .035 .034 .038 0 -.001 0 |
|
S7 .0877 .75 .1295 .039 .040 .038 .039 0 -.001 0 |
|
S8 .1247 .25 .3075 .037 .038 .040 .033 0 .002 0 |
|
S9 .2956 .25 .3616 .037 .034 .041 .035 0 -.001 0 |
|
S10 .4165 .75 .4343 .040 .037 .043 .041 0 -.001 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cosalite |
|
Topa D, Makovicky E |
| |
The Canadian Mineralogist 48 (2010) 1081-1107 |
|
The crystal chemistry of cosalite based on new electron-microprobe data and |
|
single-crystal determination of the structure |
|
Locality: Habachtal, Hobe Tauern Window, Pinzgau, Austria |
|
Note: Sample 2 |
|
_database_code_amcsd 0017817 |
|
23.894 4.0616 19.143 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .15501 .75 .98209 .0185 .0153 .0159 .0242 0 -.0003 0 |
|
Bi2 .30262 .75 .09318 .0190 .0138 .0175 .0257 0 -.0002 0 |
|
PbMe3 .01051 .25 .08977 .0214 .0173 .0184 .0285 0 -.0014 0 |
|
Bi4 .17134 .25 .18559 .0191 .0168 .0173 .0231 0 .0004 0 |
|
PbMe1 .04038 .75 .27356 .867 .0226 .0193 .0188 .0296 0 .0008 0 |
|
BiMe1 .04038 .75 .27356 .133 .0226 .0193 .0188 .0296 0 .0008 0 |
|
BiMe2 .43418 .25 .03430 .867 .0234 .0164 .0206 .0330 0 -.0005 0 |
|
Pb3 .20592 .75 .38200 .0290 .0237 .0221 .0412 0 .0001 0 |
|
Pb4 .37356 .75 .29288 .0288 .0295 .0245 .0324 0 .0010 0 |
|
Cu1 .423 .25 .978 .13 .07 .07 .02 .11 0 .09 0 |
|
Cu2 .447 .25 .104 .13 .07 .02 .03 .15 0 .07 0 |
|
S1 .1385 .25 .4764 .023 .022 .025 .021 0 -.003 0 |
|
S2 .2297 .25 .0296 .021 .015 .019 .029 0 -.003 0 |
|
S3 .9996 .75 .4135 .027 .020 .029 .031 0 .004 0 |
|
S4 .3635 .25 .1524 .021 .018 .021 .025 0 -.004 0 |
|
S5 .4640 .25 .2828 .021 .020 .019 .024 0 -.002 0 |
|
S6 .2382 .75 .2280 .020 .017 .016 .025 0 -.001 0 |
|
S7 .0884 .75 .1286 .022 .020 .015 .032 0 -.002 0 |
|
S8 .1251 .25 .3070 .020 .019 .019 .023 0 .004 0 |
|
S9 .2961 .25 .3609 .018 .018 .012 .023 0 -.002 0 |
|
S10 .4156 .75 .4338 .019 .0120 .014 .030 0 .001 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cosalite |
|
Topa D, Makovicky E |
| |
The Canadian Mineralogist 48 (2010) 1081-1107 |
|
The crystal chemistry of cosalite based on new electron-microprobe data and |
|
single-crystal determination of the structure |
|
Locality: Altenberg, Hobe Tauern Window, Lungau, Austria |
|
Note: Sample 3 |
|
_database_code_amcsd 0017818 |
|
23.652 4.0539 19.095 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .15300 .75 .98546 .0246 .0259 .0289 .0192 0 -.0010 0 |
|
Bi2 .30155 .75 .09556 .72 .0240 .0236 .0284 .0201 0 -.0002 0 |
|
Sb2 .30155 .75 .09556 .28 .0240 .0236 .0285 .0201 0 -.0002 0 |
|
PbMe3 .01034 .25 .09519 .0281 .0294 .0297 .0252 0 -.0016 0 |
|
Bi4 .17259 .25 .18970 .833 .0237 .0253 .0271 .0189 0 .0005 0 |
|
Sb4 .17259 .25 .18970 .167 .0237 .0253 .0271 .0189 0 .0005 0 |
|
PbMe1 .04200 .75 .27776 .320 .0287 .0286 .0330 .0244 0 .0011 0 |
|
BiMe1 .04200 .75 .27776 .488 .0287 .0286 .0330 .0244 0 .0011 0 |
|
Ag1 .04200 .75 .27776 .192 .0287 .027 .0331 .0244 0 .0011 0 |
|
BiMe2 .43385 .25 .03752 .834 .0330 .0315 .0356 .0318 0 -.0035 0 |
|
Pb3 .20675 .75 .38825 .0350 .0366 .0318 .0366 0 -.0014 0 |
|
Pb4 .37231 .75 .29367 .0346 .0413 .0345 .0279 0 .0010 0 |
|
Ag2 .4200 .25 .9739 .139 .043 .042 .039 .047 0 .017 0 |
|
Cu2 .4510 .25 .115 .203 .064 .053 .05 .09 0 -.007 0 |
|
S1 .1411 .25 .4799 .0267 .032 .031 .017 0 .003 0 |
|
S2 .2272 .25 .0304 .0261 .026 .032 .021 0 -.003 0 |
|
S3 .9993 .75 .4110 .034 .034 .035 .032 0 .007 0 |
|
S4 .3625 .25 .1545 .031 .028 .046 .017 0 -.005 0 |
|
S5 .4664 .25 .2789 .0236 .022 .025 .024 0 -.003 0 |
|
S6 .2386 .75 .2317 .0261 .021 .036 .021 0 -.001 0 |
|
S7 .0874 .75 .1327 .0276 .029 .032 .021 0 .001 0 |
|
S8 .1239 .25 .3098 .0239 .029 .031 .012 0 .001 0 |
|
S9 .2981 .25 .3634 .0205 .023 .023 .015 0 -.001 0 |
|
S10 .4220 .75 .4355 .030 .030 .034 .025 0 .006 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cosalite |
|
Topa D, Makovicky E |
| |
The Canadian Mineralogist 48 (2010) 1081-1107 |
|
The crystal chemistry of cosalite based on new electron-microprobe data and |
|
single-crystal determination of the structure |
|
Locality: Ocna de Fier, Romania |
|
Note: Sample 4 |
|
_database_code_amcsd 0017819 |
|
23.816 4.0408 19.057 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .15500 .75 .98212 .0335 .0322 .0399 .0284 0 -.0006 0 |
|
Bi2 .30494 .75 .09192 .0352 .0332 .0429 .0295 0 -.0006 0 |
|
PbMe3 .01088 .25 .08944 .0370 .0360 .0422 .0328 0 -.0015 0 |
|
Bi4 .17215 .25 .18459 .0339 .0330 .0404 .0284 0 .0004 0 |
|
PbMe1 .04037 .75 .27450 .695 .0378 .0354 .0432 .0349 0 .0007 0 |
|
BiMe1 .04037 .75 .27450 .305 .0378 .0354 .0432 .0349 0 .0007 0 |
|
BiMe2 .43712 .25 .03262 .695 .0480 .0398 .0540 .0500 0 -.0054 0 |
|
Pb3 .20576 .75 .38268 .0455 .0430 .0470 .0470 0 -.0011 0 |
|
Pb4 .37236 .75 .29199 .0454 .0490 .0499 .0372 0 .0015 0 |
|
Cu1 .4134 .25 .9710 .34 .046 .052 .035 .050 0 .011 0 |
|
Cu2 .4512 .25 .1115 .39 .065 .047 .07 .080 0 -.008 0 |
|
S1 .1371 .25 .4761 .036 .037 .045 .028 0 -.004 0 |
|
S2 .2304 .25 .0284 .035 .032 .040 .033 0 -.004 0 |
|
S3 .9994 .75 .4118 .047 .046 .046 .049 0 .012 0 |
|
S4 .3643 .25 .1519 .039 .034 .040 .043 0 -.008 0 |
|
S5 .4652 .25 .2811 .034 .031 .037 .036 0 -.0014 0 |
|
S6 .2381 .75 .2275 .036 .032 .042 .032 0 -.003 0 |
|
S7 .0888 .75 .1273 .035 .035 .031 .040 0 .001 0 |
|
S8 .1245 .25 .3062 .035 .033 .040 .033 0 .001 0 |
|
S9 .2961 .25 .3600 .032 .030 .037 .028 0 .001 0 |
|
S10 .4162 .75 .4330 .037 .035 .045 .032 0 .004 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cosalite |
|
Topa D, Makovicky E |
| |
The Canadian Mineralogist 48 (2010) 1081-1107 |
|
The crystal chemistry of cosalite based on new electron-microprobe data and |
|
single-crystal determination of the structure |
|
Locality: Erzwiess, Hobe Tauern Window, Gasteinertal, Austria |
|
Note: Sample 5 |
|
_database_code_amcsd 0017820 |
|
23.846 4.0559 19.066 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .15453 .75 .98219 .0144 .0117 .0176 .0139 0 -.0004 0 |
|
Bi2 .30367 .75 .09249 .0161 .0130 .0196 .0155 0 -.0009 0 |
|
PbMe3 .01079 .25 .09038 .0179 .0160 .0196 .0181 0 -.0014 0 |
|
Bi4 .17164 .25 .18539 .0154 .0135 .0185 .0142 0 .0008 0 |
|
PbMe1 .04031 .75 .27519 .643 .0195 .0160 .0227 .0199 0 .0015 0 |
|
BiMe1 .04031 .75 .27519 .301 .0195 .0160 .0227 .0199 0 .0015 0 |
|
Ag1 .048 .75 .264 .056 .0195 .0160 .0227 .0199 0 00015 0 |
|
BiMe2 .43582 .25 .0343 .699 .0266 .0185 .0285 .0328 0 -.0040 0 |
|
Pb3 .20579 .75 .3833 .0270 .0247 00248 .0315 0 -.0003 0 |
|
Pb4 .37240 .75 .2921 .0265 .0310 .0268 .0218 0 .0008 0 |
|
Ag2 .4160 .25 .9726 .252 .043 .040 .040 .047 0 .007 0 |
|
Cu2 .4503 .25 .1141 .358 .046 .029 .046 .064 0 -0011 0 |
|
S1 .1383 .25 .4765 .0187 .019 .024 .013 0 -.001 0 |
|
S2 .2292 .25 .0292 .0178 .016 .021 .017 0 -.004 0 |
|
S3 .9988 .75 .4099 .0276 .023 .027 .033 0 .005 0 |
|
S4 .3633 .25 .1531 .0192 .017 .024 .017 0 -.007 0 |
|
S5 .4655 .25 .2807 .0184 .015 .021 .019 0 -.003 0 |
|
S6 .2378 .75 .2281 .0155 .012 .019 .015 0 -.001 0 |
|
S7 .0883 .75 .1285 .0171 .014 .021 .017 0 -.002 0 |
|
S8 .1236 .25 .3066 .0172 .019 .022 .011 0 .003 0 |
|
S9 .2961 .25 .3606 .0147 .016 .016 .012 0 -.001 0 |
|
S10 .4165 .75 .4335 .0168 .014 .018 .018 0 .001 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cosalite |
|
Topa D, Makovicky E |
| |
The Canadian Mineralogist 48 (2010) 1081-1107 |
|
The crystal chemistry of cosalite based on new electron-microprobe data and |
|
single-crystal determination of the structure |
|
Locality: Schareck, Hobe Tauern Window, Schareck-Siglitz, Gasteinertal, Austria |
|
Note: Sample 6 |
|
_database_code_amcsd 0017821 |
|
23.879 4.0453 19.017 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .15379 .75 .98238 .0150 .0161 .0130 .0158 0 -.0008 0 |
|
Bi2 .30314 .75 .09282 .0158 .0159 00143 .0172 0 -.0012 0 |
|
PbMe3 .01100 .25 .09054 .0180 .0191 .0145 .0204 0 -.0016 0 |
|
Bi4 .17111 .25 .18588 .0155 .0170 .0138 .0158 0 .0009 0 |
|
PbMe1 .03981 .75 .27589 .446 .0201 .0196 .0182 .0226 0 .0009 0 |
|
BiMe1 .03981 .75 .27589 .476 .0201 .0196 .0182 .0226 0 .0009 0 |
|
Ag1 .03981 .75 .27589 .078 .0201 .0196 .0182 .0226 0 .0009 0 |
|
BiMe2 .43564 .25 .03615 .524 .0236 .0161 .024 .0304 0 -.0016 0 |
|
Pb3 .20572 .75 .38512 .0281 .0284 .0209 .0351 0 -.0005 0 |
|
Pb4 .37095 .75 .29190 .0276 .0363 .0222 .0243 0 .0014 0 |
|
Ag2 .4218 .25 .9757 .432 .042 .033 .035 .058 0 .012 0 |
|
Cu2 .4499 .25 .1195 .463 .037 .023 .039 .050 0 .001 0 |
|
S1 .1392 .25 .4775 .021 .024 .023 .015 0 -.004 0 |
|
S2 .2285 .25 .0296 .019 .019 .013 .025 0 -.004 0 |
|
S3 .9962 .75 .4078 .034 .027 .038 .036 0 .008 0 |
|
S4 .3615 .25 .1542 .020 .020 .022 .018 0 -.009 0 |
|
S5 .4665 .25 .2790 .020 .014 .020 .025 0 -.003 0 |
|
S6 .2371 .75 .2285 .016 .017 .017 .014 0 -.002 0 |
|
S7 .0887 .75 .1281 .017 .019 .014 .019 0 -.001 0 |
|
S8 .1221 .25 .3071 .016 .019 .015 .014 0 -.001 0 |
|
S9 .2965 .25 .3604 .015 .018 .009 .019 0 -.005 0 |
|
S10 .4168 .75 .4331 .017 .018 .015 .019 0 .004 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Watkinsonite |
|
Topa D, Makovicky E, Sejkora J, Dittrich H |
| |
The Canadian Mineralogist 48 (2010) 1109-1118 |
|
The crystal structure of watkinsonite, Cu2PbBi4Se8, |
|
from the Zalesi uranium deposit, Czech Republic |
|
Locality: Zalesi uranium deposit, Czech Republic |
|
_database_code_amcsd 0017825 |
|
12.952 4.1523 15.155 90 108.931 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .3788 .25 .9009 .68 .088 .060 .184 .025 0 .021 0 |
|
Ag1 .3860 .25 .9006 .32 .079 .109 .097 .007 0 -.012 0 |
|
Cu2 .47134 .25 .53715 .0258 .030 .012 .037 0 .014 0 |
|
Pb .23691 .25 .33139 .0288 .0255 .0174 .0438 0 .0117 0 |
|
Bi1 .04295 .25 .88759 .0167 .0176 .0126 .0189 0 .0043 0 |
|
Bi2 .56525 .25 .29021 .0161 .0152 .0128 .0193 0 .0042 0 |
|
Bi3 .70545 .25 .90960 .0173 .0155 .0120 .0224 0 .0034 0 |
|
Bi4 .92454 .25 .37818 .0213 .0187 .0167 .0257 0 .0031 0 |
|
Se1 .12568 .25 .50967 .0141 .0126 .013 .016 0 .004 0 |
|
Se2 .13530 .25 .11562 .0152 .0127 .014 .017 0 .003 0 |
|
Se3 .30144 .25 .73696 .0189 .0137 .013 .030 0 .007 0 |
|
Se4 .43836 .25 .06837 .0185 .0173 .014 .026 0 .009 0 |
|
Se5 .61451 .25 .70857 .0161 .0150 .012 .021 0 .006 0 |
|
Se6 .63573 .25 .48096 .0151 .0135 .012 .018 0 .002 0 |
|
Se7 .80926 .25 .11716 .0155 .0132 .013 .020 0 .004 0 |
|
Se8 .95263 .25 .69674 .0136 .0136 .011 .015 0 .003 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
SnSb4S7 |
| |
Topa D, Makovicky E, Schimper H J, Stadler A, Basch A, Dittrich H, Amthauer G |
| |
The Canadian Mineralogist 48 (2010) 1119-1126 |
|
The crystal structure of SnSb4S7, a new member of the meneghinite homologous series |
|
Locality: synthetic |
|
_database_code_amcsd 0017824 |
|
11.331 3.865 13.940 90 105.281 90 P2_1/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sn .3791 .25 .2141 .0306 .0454 .0212 .0257 0 .0100 0 |
|
Sb1 .6695 .25 .4753 .0173 .0208 .0114 .0195 0 .0049 0 |
|
Sb2 .9477 .25 .8864 .0171 .0221 .0111 .0204 0 .0095 0 |
|
Sb3 .6608 .25 .0500 .0315 .0400 .0173 .0368 0 .0096 0 |
|
Sb4 .0768 .25 .6260 .0220 .0298 .0191 .0199 0 .0116 0 |
|
S1 .7524 .25 .3251 .0153 .015 .017 .014 0 .005 0 |
|
S2 .9573 .25 .1838 .0221 .027 .020 .022 0 .011 0 |
|
S3 .1079 .25 .4583 .0145 .018 .014 .015 0 .009 0 |
|
S4 .7646 .25 .7418 .0199 .02 .018 .020 0 .006 0 |
|
S5 .4696 .25 .6040 .0151 .014 .011 .021 0 .006 0 |
|
S6 .4934 .25 .8896 .0207 .022 .019 .021 0 .006 0 |
|
S7 .2327 .25 .0371 .0161 .015 .015 .018 0 .005 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ag2.25Pb2.5Bi4.25S10 |
| |
Topa D, Makovicky E, Schimper H J, Dittrich H |
| |
The Canadian Mineralogist 48 (2010) 1127-1135 |
|
The crystal structure of a synthetic orthorhombic N = 8 |
|
member of the lillianite homologous series |
|
Locality: synthetic |
|
_database_code_amcsd 0017871 |
|
4.084 13.453 33.932 90 90 90 Cmcm |
|
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 0 .09232 .42149 .529 .0343 .0317 .0308 .0404 0 0 -.0027 |
|
Ag1 0 .09232 .42149 .471 .0343 .0317 .0308 .0404 0 0 -.0027 |
|
Pb2 0 .27343 .25 .0465 .0313 .0407 .0674 0 0 0 |
|
Bi1 0 .18070 .63252 .0290 .0271 .0289 .0309 0 0 .0012 |
|
Bi2 0 .36320 .47431 .742 .0335 .0322 .0345 .0338 0 0 .0005 |
|
Ag2 0 .36320 .47431 .258 .0335 .0322 .0345 .0338 0 0 .0005 |
|
Bi3 0 .45846 .68301 .564 .0358 .0307 .0374 .0393 0 0 .0011 |
|
Ag3 0 .45846 .68301 .436 .0358 .0307 .0374 .0393 0 0 .0011 |
|
S1 0 0 .5 .041 .033 .033 .055 0 0 -.006 |
|
S2 0 .09056 .70066 .029 .032 .030 .027 0 0 .001 |
|
S3 0 .19142 .34185 .0378 .029 .032 .053 0 0 -.012 |
|
S4 0 .27505 .54923 .0398 .040 .039 .041 0 0 .004 |
|
S5 0 .36942 .75 .038 .028 .028 .057 0 0 0 |
|
S6 0 .45315 .39715 .0389 .036 .036 .045 0 0 -.004 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Litochlebite |
| |
Sejkora J, Makovicky E, Topa D, Putz H, Zagler G, Pasil J |
| |
The Canadian Mineralogist 49 (2011) 639-650 |
|
Litochlebite, Ag2PbBi4Se8, a new selenide mineral species from Zalesi, |
|
Czech Republic: description and crystal structure |
|
Locality: Zalesi uranium deposit, northern Moravia, Czech Republic |
|
_database_code_amcsd 0018384 |
|
13.203 4.186 15.280 90 109.164 90 P2_1/m |
|
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 .2318 .25 .327 .0369 .0308 .0238 .057 0 .0161 0 |
|
Bi1 .0421 .25 .8851 .0205 .0204 .0215 .0183 0 .0045 0 |
|
Bi2 .5671 .25 .2974 .0201 .0236 .0204 .0176 0 .0085 0 |
|
Bi3 .7082 .25 .9039 .0212 .0217 .0209 .0190 0 .0040 0 |
|
Bi4 .9253 .25 .3786 .0239 .0220 .0218 .025 0 .0031 0 |
|
Se1 .1219 .25 .5106 .0153 .010 .018 .017 0 .003 0 |
|
Se2 .1333 .25 .1143 .0174 .017 .014 .021 0 .006 0 |
|
Se3 .3034 .25 .7300 .0177 .019 .018 .017 0 .007 0 |
|
Se4 .4329 .25 .0765 .0184 .018 .018 .019 0 .005 0 |
|
Se5 .6186 .25 .7102 .0194 .022 .018 .019 0 .007 0 |
|
Se6 .6569 .25 .4836 .0320 .027 .057 .015 0 .009 0 |
|
Se7 .8163 .25 .1196 .0204 .019 .018 .023 0 .004 0 |
|
Se8 .9523 .25 .6953 .0155 .017 .015 .014 0 .005 0 |
|
Ag1a .3800 .25 .9026 .86 .061 .059 .11 .014 0 .008 0 |
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Ag1b .374 -.07 .902 .07 .08 .01 .16 .06 0 .004 0 |
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Ag2a .4708 .25 .5256 .76 .093 .066 .125 .078 0 .012 0 |
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Ag2b .5 0 .5 .24 .08 |
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Angelaite |
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Topa D, Makovicky E, Putz H |
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The Canadian Mineralogist 48 (2010) 145-153 |
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The crystal structure of angelaite, Cu2AgPbBiS4 |
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Locality: Angela mine, Los Manantiales district, Chubut province, Argentina |
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_database_code_amcsd 0006325 |
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12.734 4.032 14.633 90 90 90 Pnma |
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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 .4510 .25 .3382 .054 .021 .104 .037 0 -.010 0 |
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Cu2a -.0274 .25 -.0209 .67 .074 .042 .14 .040 0 .008 0 |
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Cu2b -.062 .25 -.130 .31 .042 .030 .024 .07 0 -.007 0 |
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Ag .1832 .25 -.0751 .0388 .050 .039 .028 0 .013 0 |
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Pb .2193 .25 .6666 .0294 .0460 .0164 .0259 0 .0040 0 |
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Bi .06739 .25 .39411 .0170 .0205 .0110 .0194 0 .0007 0 |
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S1 .3718 .25 .0317 .018 .020 .004 .031 0 -.003 0 |
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S2 .2798 .25 .3128 .017 .017 .012 .024 0 -.002 0 |
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S3 .1041 .25 .0851 .020 .016 .019 .028 0 .002 0 |
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S4 -.0048 .25 .7198 .020 .033 .010 .018 0 -.002 0 |
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Galenobismutite |
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Topa D, Makovicky E, Putz H |
| |
The Canadian Mineralogist 48 (2010) 145-153 |
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The crystal structure of angelaite, Cu2AgPbBiS4 |
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Locality: Angela mine, Los Manantiales district, Chubut province, Argentina |
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_database_code_amcsd 0006326 |
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11.742 4.0814 14.522 90 90 90 Pnma |
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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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Pb .24877 .25 .65191 .0259 .0310 .0225 .0241 0 .0053 0 |
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Bi1 .06789 .25 .39037 .0187 .0204 .0183 .0175 0 .0020 0 |
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Bi2 .10367 .25 .90512 .0220 .0243 .0157 .0261 0 .0011 0 |
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S1 .3325 .25 .0137 .0207 .025 .019 .018 0 .0010 0 |
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S2 .2606 .25 .2984 .0167 .018 .016 .016 0 .0001 0 |
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S3 .0528 .25 .0927 .0173 .019 .018 .015 0 .0014 0 |
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S4 .0182 .25 .7125 .0165 .020 .017 .013 0 -.0030 0 |
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Felbertalite |
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Topa D, Makovicky E, Balic-Zunic T, Berlepsch P |
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European Journal of Mineralogy 12 (2000) 825-833 |
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The crystal structure of Cu2Pb6Bi8S19 |
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_database_code_amcsd 0006838 |
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27.637 4.0499 20.741 90 131.258 90 C2/m |
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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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Cu .03853 .5 .09196 .0290 .0297 .0292 .0304 0 .0208 0 |
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Pb1 .19107 .5 .21713 .0296 .0310 .0259 .0411 0 .0276 0 |
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Pb2 .39771 .5 .40815 .0254 .0311 .0239 .0289 0 .0231 0 |
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Pb3 -.00530 .5 .34865 .0211 .0267 .0176 .0256 0 .0201 0 |
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Bi1 .29875 0 .46284 .0183 .0225 .0147 .0220 0 .0166 0 |
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Bi2 .09694 0 .29559 .0162 .0227 .0153 .0174 0 .0162 0 |
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Bi3 .39977 .5 .04582 .0227 .0292 .0185 .0332 0 .0260 0 |
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Bi4 .27538 .5 .10214 .0223 .0268 .0225 .0241 0 .0196 0 |
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S1 0 .5 .5 .0177 .0269 .0168 .0146 0 .0158 0 |
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S2 .00539 .5 .22587 .0186 .0214 .0218 .0196 0 .0166 0 |
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S3 .10170 0 .45155 .0201 .0278 .0193 .0191 0 .0179 0 |
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S4 .08753 0 .16298 .0146 .0237 .0111 .0200 0 .0190 0 |
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S5 .07096 .5 .00742 .0171 .0250 .0172 .0222 0 .0213 0 |
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S6 .19820 .5 .37247 .0233 .0238 .0206 .0241 0 .0151 0 |
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S7 .20987 0 .11473 .0181 .0307 .0150 .0217 0 .0229 0 |
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S8 .29744 0 .33258 .0188 .0266 .0127 .0210 0 .0173 0 |
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S9 .40665 .5 .27651 .0290 .0326 .0224 .0211 0 .0131 0 |
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S10 .32686 0 .06533 .0144 .0166 .0165 .0176 0 .0145 0 |
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Gustavite |
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Makovicky E, Topa D |
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European Journal of Mineralogy 23 (2011) 537-550 |
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The crystal structure of gustavite, PbAgBi3S6 |
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Analysis of twinning and polytypism using the OD approach |
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Locality: Rotgulden, Lungau, Salzburg Land, Austria |
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_database_code_amcsd 0018646 |
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7.0567 19.6905 8.2219 90 106.961 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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Bi1 .17402 .36005 .79503 .891 .0196 .0238 .0178 .0181 -.0016 .0076 .0010 |
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Sb1 .17402 .36005 .79503 .109 .0196 .0238 .0178 .0181 -.0016 .0076 .0010 |
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Bi2 .26674 .55009 .56396 .0190 .0229 .0171 .0170 .0007 .0058 .0005 |
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Bi3 .72098 .44808 .92732 .875 .0179 .0214 .0178 .0156 .0010 .0069 -.0008 |
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Ag3 .72098 .44808 .92732 .125 .0179 .0214 .0178 .0156 .0010 .0069 -.0008 |
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Pb .62988 .25026 .15744 .0275 .0286 .0343 .0204 .0013 .0085 .0002 |
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Ag4 .15180 .36653 .28715 .861 .0463 .060 .040 .039 .0167 .0138 .0038 |
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Bi4 .15180 .36653 .28715 .139 .0463 .060 .040 .039 .0167 .0138 .0038 |
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S1 .0109 .4942 .2650 .020 .022 .019 .019 -.011 .007 -.004 |
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S2 .9105 .3326 .4875 .022 .028 .016 .024 .002 .009 .001 |
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S3 .4904 .4020 .1113 .025 .020 .022 .032 -.002 .004 -.007 |
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S4 .3445 .2423 .8360 .020 .020 .021 .018 .001 .003 .001 |
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S5 .5187 .5957 .3696 .023 .018 .019 .030 -.004 .001 -.009 |
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S6 .9121 .3339 .9712 .020 .021 .017 .022 -.003 .006 -.001 |
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Na2(Mn5.26Na0.74)Ge6O20 |
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Redhammer G J, Roth G, Topa D, Amthauer G |
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Acta Crystallographica C64 (2008) i21-i26 |
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Synthetic aenigmatite analog Na2(Mn5.26Na0.74)Ge6O20: structure and |
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crystal chemical considerations |
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Locality: synthetic |
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T = 295 K |
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_database_code_amcsd 0010341 |
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10.5578 11.1532 9.1833 106.707 95.809 124.367 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na2 -.2913 .6300 .3830 .0121 .0151 .0181 .0066 .0062 .0087 |
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Na3 .1629 .6118 .3735 .0147 .0229 .0167 .0101 .0052 .0111 |
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Mn1 .5 1 .5 .0094 .0107 .0071 .0031 .0030 .0064 |
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Mn2 .5 .5 1 .0103 .0095 .0096 .0031 .0037 .0065 |
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Mn3 .80868 .84635 .17711 .0099 .0105 .0112 .0041 .0042 .0071 |
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Mn4 .09944 .94628 .06221 .0120 .0123 .0124 .0058 .0045 .0078 |
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Mn5 .27496 .82376 .15887 .0111 .0127 .0112 .0062 .0049 .0082 |
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Mn6 .5914 .9367 .0598 .26 .0070 .0117 .0124 .0073 .0033 .0041 |
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Na1 .5914 .9367 .0598 .74 .0070 .0117 .0124 .0073 .0033 .0041 |
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Mn7 .48962 .72991 .26696 .0104 .0094 .0081 .0043 .0044 .0075 |
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Ge1 -.28732 .65515 .75805 .0088 .0103 .0094 .0040 .0033 .0057 |
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Ge2 .02820 .76641 .66405 .0119 .0126 .0109 .0045 .0038 .0079 |
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Ge3 .22611 .65845 .77842 .0121 .0113 .0136 .0042 .0042 .0073 |
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Ge4 .52220 .76621 .65123 .0096 .0103 .0092 .0040 .0025 .0058 |
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Ge5 .14459 .94746 .44097 .0113 .0088 .0077 .0032 .0046 .0066 |
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Ge6 .13837 .43761 .95231 .0123 .0081 .0101 .0043 .0059 .0072 |
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O1 -.1603 .8260 .9343 .014 .012 .010 .001 .001 .009 |
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O2 -.4430 .4863 .7740 .011 .016 .019 .009 .007 .008 |
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O3 -.1672 .6197 .6601 .010 .009 .017 .004 .007 .008 |
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O4 -.3812 .6809 .6131 .017 .018 .013 .004 .005 .016 |
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O5 .1456 .9424 .8332 .009 .013 .010 .003 .000 .006 |
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O6 .1127 .6663 .6312 .017 .017 .016 .011 .006 .014 |
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O7 -.0049 .7949 .4918 .006 .006 .013 .004 .005 .001 |
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O8 .3359 .8265 .9539 .014 .012 .016 .003 .001 .005 |
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O9 .0851 .4857 .7990 .012 .009 .017 .005 .005 .006 |
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O10 .3482 .6272 .6897 .011 .012 .017 .006 .007 .005 |
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O11 .6506 .9432 .8198 .017 .007 .015 .002 -.001 .005 |
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O12 .4491 .7753 .4796 .016 .012 .014 .010 .007 .011 |
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O13 .2601 1.1278 .6108 .010 .011 .019 .006 .005 .005 |
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O14 .2624 .8848 .3878 .018 .016 .012 .005 .007 .011 |
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O15 .0458 .9541 .2858 .023 .015 .010 .006 .005 .014 |
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O16 .2449 .6064 1.1332 .022 .017 .016 .006 .005 .012 |
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O17 -.0447 .2791 .9562 .024 .011 .023 .007 .012 .012 |
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O18 .2631 .3879 .8904 .015 .013 .006 .003 .003 .009 |
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O19 .4982 .9240 .2855 .015 .017 .009 .004 .001 .006 |
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O20 .5601 .7103 .0796 .026 .016 .015 .003 .000 .013 |
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|
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|
Buckhornite |
|
Effenberger H, Culetto F J, Topa D, Paar W H |
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Zeitschrift fur Kristallographie 215 (2000) 10-16 |
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The crystal structure of synthetic buckhornite, [Pb2BiS3][AuTe2] |
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Locality: synthetic |
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_database_code_amcsd 0011084 |
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4.108 12.308 9.331 90 90 90 *Pmmn |
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-.25 -.25 0 |
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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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Au .25 .25 -.0045 .0201 .0157 .0195 .0253 0 0 0 |
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PbMe1 .25 .07838 .3166 2/3 .0314 .0286 .0277 .0377 0 0 .0017 |
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BiMe1 .25 .07838 .3166 1/3 .0314 .0286 .0277 .0377 0 0 .0017 |
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PbMe2 .75 .25 .6482 2/3 .0283 .0268 .0266 .0315 0 0 0 |
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BiMe2 .75 .25 .6482 1/3 .0283 .0268 .0266 .0315 0 0 0 |
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Te .75 .1071 -.0075 .0217 .0180 .0221 .0250 0 0 .0002 |
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S1 .75 .25 .3654 .022 .022 .017 .027 0 0 0 |
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S2 .75 .9123 .3835 .020 .014 .019 .025 0 0 .002 |
|
|
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|
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|
Rathite |
|
Berlepsch P, Armbruster T, Topa D |
|
Zeitschrift fur Kristallographie 217 (2002) 581-590 |
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Structural and chemical variations in rathite, Pb8Pb4-x(Tl2As2)x(Ag2As2)As16S40: |
|
modulations of a parent structure |
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Locality: Valais, Switzerland |
|
_database_code_amcsd 0011095 |
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8.496 7.969 25.122 90 100.704 90 P2_1/c |
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atom x y z occ Uiso |
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Pb1 .47494 .75704 .205583 .04036 |
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Pb2 .98078 .74922 .20540 .05976 |
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Pb3 .90270 .08494 .07178 .739 .0379 |
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Ag .4162 .0111 .0772 .474 .0448 |
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As1 .29987 .85369 .34169 .0274 |
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As2 .24640 .33506 .14689 .0311 |
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As3 .6847 .6605 .0417 .735 .0437 |
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As4 .13800 .67143 .05873 .0276 |
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As5 .4257 .0252 .0510 .526 .0352 |
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As6 .8732 .0374 .0780 .261 .075 |
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Sb1 .6884 .6243 .0380 .265 .066 |
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S1 .2564 .9974 .26341 .0313 |
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S2 .2476 .4798 .22331 .0274 |
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S3 .5068 .6830 .32623 .0262 |
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S4 .9017 .1712 .17828 .0321 |
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S5 .6976 .8377 .11176 .0291 |
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S6 .1656 .8802 .12022 .0320 |
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S7 .3641 .5211 .09716 .0289 |
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S8 .9572 .5086 .08998 .0404 |
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S9 .5888 .1974 .01482 .0434 |
|
S10 .1794 .1800 .01016 .0321 |
|
|
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|
| |
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