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Nagyagite |
 |
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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Kupcikite |
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Topa D, Makovicky E, Balic-Zunic T, Paar W H |
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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) |
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Cu1 .4007 0 .4719 .0464 .0431 .0374 .065 0 .0258 0 |
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Cu2 .2158 0 .0602 .45 .0365 |
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Fe2 .2158 0 .0602 .29 .0365 |
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Cu3 .1925 0 .0688 .26 .034 |
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Bi1 .5 0 0 .0339 .0389 .0275 .0345 0 .0108 0 |
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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 |
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S1 .5454 .5 .1669 .0313 .034 .029 .031 0 .010 0 |
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S2 .3465 0 .0243 .0323 .035 .028 .034 0 .011 0 |
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S3 .2614 0 .2482 .0303 .032 .028 .031 0 .011 0 |
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S4 .4827 0 .3626 .0324 .034 .031 .031 0 .009 0 |
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S5 .3353 .5 .4970 .0273 .027 .026 .029 0 .009 0 |
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Putzite |
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Paar W H, Roberts A C, Berlepsch P, Armbruster T, Topa D, Zagler G |
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The Canadian Mineralogist 42 (2004) 1757-1769 |
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Putzite, (Cu4.7Ag3.3)8GeS6, a new mineral species, from Capillitas, Catamarca, |
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Argentina: Description and crystal structure |
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Locality: Capillitas, Catamarca, Argentina |
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_database_code_amcsd 0005995 |
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10.1250 10.1250 10.1250 90 90 90 F-43m |
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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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Ge1 0 .5 0 .0127 .0127 .0127 .0127 0 0 0 |
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Cu1 .25 .75 .9804 .5 .059 .072 .072 .034 -.039 0 0 |
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Ag1 .3279 .4713 .1721 .25 .072 .064 .086 .064 -.005 -.021 .005 |
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Cu2 .355 .564 .145 .14 .118 |
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Ag2 .355 .564 .145 .04 .118 |
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S1 .1250 .6250 .1250 .0208 .0208 .0208 .0208 -.0064 -.0064 -.0064 |
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S2 .25 .75 .75 .051 .051 .051 .051 0 0 0 |
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S3 .5206 .5206 .0206 .25 .023 .023 .023 .023 -.006 -.006 -.006 |
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Tennantite |
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Makovicky E, Karanovic L, Poleti D, Balic-Zunic T, Paar W H |
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The Canadian Mineralogist 43 (2005) 679-688 |
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Crystal structure of copper-rich unsubstituted tennantite, Cu12.5As4S13 |
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Sample: Cerro Atajo, Catamarco, Argentina |
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_database_code_amcsd 0006002 |
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10.1756 10.1756 10.1756 90 90 90 I-43m |
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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 .25 .5 0 .0238 .0309 .0202 .0202 0 0 0 |
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Cu2A .2174 0 0 .75 .046 .0175 .060 .060 0 0 -.032 |
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Cu2B .075 .075 -.2139 .17 .050 .057 .057 .035 .025 .018 .018 |
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As .2586 .2586 .2586 .98 .0180 .0180 .0180 .0180 -.0002 -.0002 -.0002 |
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Sb .2586 .2586 .2586 .02 .0180 .0180 .0180 .0180 -.0002 -.0002 -.0002 |
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S1 .1184 .1184 .3570 .0183 .0195 .0195 .0158 -.0001 .0019 .0019 |
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S2 0 0 0 .020 .0205 .0205 .0205 0 0 0 |
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Milotaite |
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Paar W H, Topa D, Makovicky E, Culetto F J |
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The Canadian Mineralogist 43 (2005) 689-694 |
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Milotaite, PdSbSe, a new palladium mineral species from Predborice, Czech Republic |
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Sample: synthetic analog to milotaite |
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_database_code_amcsd 0006003 |
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6.3181 6.3181 6.3181 90 90 90 P2_13 |
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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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Pd .25390 .74610 .24610 .0088 .0088 .0088 .0088 -.0001 -.0001 .0001 |
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Sb .12677 .12677 .12677 .0096 .0096 .0096 .0096 .0011 .0011 .0011 |
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Se .63232 .86768 .13232 .0104 .0104 .0104 .0104 -.0006 .0006 -.0006 |
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Catamarcaite |
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Putz H, Paar W H, Topa D, Makovicky E, Roberts A C |
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The Canadian Mineralogist 44 (2006) 1481-1497 |
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Catamarcaite, Cu6GeWS8, a new germanium sulfide mineral species from |
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Capillitas, Catamarca, Argentina: Description, paragenesis and crystal structure |
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Locality: Capillitas, Catamarca, Argentina |
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_database_code_amcsd 0006132 |
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7.5238 7.5238 12.390 90 90 120 P6_3mc |
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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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Cu1 .8402 .1598 .1049 .0177 .022 .022 .013 .0137 -.0016 .0016 |
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Cu2 .5044 .4956 .3536 .0189 .0197 .0197 .0166 .0094 .0015 -.0015 |
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Ge 0 0 .3513 .0085 .0100 .0100 .006 .0050 0 0 |
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W 1/3 2/3 .4810 .0085 .0103 .0103 .0051 .0051 0 0 |
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S1 1/3 2/3 .3002 .016 .020 .020 .009 .010 0 0 |
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S2 .5032 .4969 .0419 .0142 .016 .016 .009 .006 -.0016 .0016 |
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S3 .8381 .6763 .29044 .011 .012 .010 .010 .005 -.0002 -.001 |
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S4 0 0 .5311 .011 .015 .015 .004 .007 0 0 |
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Dantopaite |
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Makovicky E, Paar W H, Putz H, Zagler G |
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The Canadian Mineralogist 48 (2010) 467-481 |
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Dantopaite, Ag5Bi13S22, the 6P natural member of the pavonite homologous |
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series, from Erzwies, Austria |
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Locality: Erzwies, Austria |
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_database_code_amcsd 0006280 |
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13.380 4.0492 18.690 90 105.494 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 .8543 0 .35128 .0185 .0160 .0172 .0219 0 .0044 0 |
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Bi2 .6151 0 .4489 .82 .023 .027 .024 .020 0 .009 0 |
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Ag2 .616 0 .464 .18 .023 .027 .024 .020 0 .009 0 |
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Bi3 .0950 0 .25368 .0180 .0187 .0187 .0150 0 .0009 0 |
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Bi4 .3066 0 .10002 .0243 .0318 .0253 .0181 0 .0105 0 |
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Ag1 0 0 0 .69 .042 .049 .05 .040 0 .033 0 |
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Cu1 0 .16 0 .08 .008 |
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Cu2 .496 0 .071 .20 .115 |
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S1 .6606 0 .0322 .013 .014 .015 .011 0 .006 0 |
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S2 .2469 0 .4088 .020 .020 .021 .021 0 .011 0 |
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S3 .7163 0 .2187 .014 .017 .011 .016 0 .010 0 |
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S4 0 0 .5 .030 .037 .022 .033 0 .016 0 |
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S5 .4777 0 .3108 .023 .019 .014 .044 0 .020 0 |
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S6 .9591 0 .1230 .016 .013 .017 .010 0 -.009 0 |
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Georgerobinsonite |
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Cooper M A, Ball N A, Hawthorne F C, Paar W H, Roberts A C, Moffatt E |
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The Canadian Mineralogist 49 (2011) 865-876 |
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Georgerobinsonite, Pb4(CrO4)2(OH)2FCl, a new chromate mineral from the |
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Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona: description and crystal structure |
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Locality: Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona, USA |
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_database_code_amcsd 0018387 |
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7.6256 11.6081 6.8961 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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Pb(1) .25 .59690 .12642 .02183 .0256 .0233 .0166 0 0 -.0031 |
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Pb(2) .50242 .25 .41670 .02025 .0147 .0239 .0221 0 -.00089 0 |
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Cr .25 .49812 .6485 .0129 .0134 .0135 .0117 0 0 -.0015 |
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Cl .25 .2284 .0720 .5 .0217 |
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F .75 .25 .1327 .027 .035 .034 .011 0 0 0 |
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O(1) .4226 .5121 .7804 .0264 .023 .033 .023 .006 -.003 -.006 |
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O(2) .25 .6070 .4931 .0232 .028 .021 .021 0 0 -.000 |
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O(3) .25 .3763 .5289 .0235 .023 .016 .032 0 0 -.003 |
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Oh4 .4388 .75 .2306 .0166 .014 .019 .016 0 -.001 0 |
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H .550 .75 .159 .02 |
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Buckhornite |
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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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Braithwaiteite |
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Hawthorne F C, Cooper M A, Paar W H |
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Journal of Coordination Chemistry 61 (2008) 15-29 |
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The crystal structure of braithwaiteite |
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Locality: Black Vein, Laurani, Bolivia |
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_database_code_amcsd 0013021 |
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7.0308 9.8823 10.6754 106.973 104.274 93.839 P-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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As1 .33679 .29089 .14914 .01027 .01158 .00838 .01128 .00194 .00300 .00382 |
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As2 .85183 .64761 .27315 .01285 .01238 .01489 .01110 .00178 .00301 .00417 |
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As3 .29261 .80421 .14848 .00982 .01070 .00859 .01085 .00183 .00261 .00436 |
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SbM1 .5 0 0 .57 .01032 .0101 .0092 .0131 .00217 .00425 .00460 |
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TiM1 .5 0 0 .43 .01032 .0101 .0092 .0131 .00217 .00425 .00460 |
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SbM2 0 0 0 .39 .01008 .0092 .0096 .0122 .00181 .00258 .0048 |
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TiM2 0 0 0 .61 .01008 .0092 .0096 .0122 .00181 .00258 .0048 |
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Cu1 0 .5 0 .0126 .0132 .0127 .0107 -.0008 .0032 .0027 |
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Cu2 0 .5 .5 .0208 .0257 .0233 .0156 .0095 .0041 .0096 |
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Cu3 .5 .5 0 .0134 .0136 .0150 .0108 -.0012 .0024 .0045 |
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Cu4 .41498 .60770 .31466 .01492 .0233 .0103 .0141 .00451 .00782 .00565 |
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Na .5 0 .5 .0327 .0482 .0207 .0227 .0007 .0040 .0034 |
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O1 .1251 .1897 .1387 .0147 .0133 .0111 .0190 -.0007 .0057 .0032 |
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O2 .4046 .4122 .3070 .0156 .0252 .0093 .0104 .0031 .0031 .0018 |
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O3 .2950 .3691 .0270 .0153 .0171 .0170 .0127 .0010 .0011 .0086 |
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O4 .5186 .1875 .1432 .0153 .0139 .0128 .0172 .0062 .0021 .0027 |
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O5 .8864 .8279 .2975 .0229 .0303 .0145 .0278 .0031 .0148 .0069 |
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O6 .6063 .5847 .1952 .0159 .0121 .0226 .0116 -.0006 .0035 .0041 |
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O7 .8854 .6426 .4322 .0202 .0282 .0240 .0112 .0108 .0052 .0085 |
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O8 .0109 .5682 .1936 .0172 .0155 .0202 .0141 .0034 .0035 .0033 |
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O9 .3670 .7935 .3067 .0134 .0193 .0113 .0108 .0047 .0031 .0055 |
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O10 .4887 .9014 .1343 .0144 .0112 .0172 .0170 -.0013 .0023 .0109 |
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O11 .2288 .6453 .0263 .0149 .0181 .0107 .0159 .0001 .0073 .0026 |
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O12 .1026 .9033 .1408 .0140 .0140 .0165 .0159 .0075 .0056 .0093 |
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O13 .7789 .0201 .0668 .0146 .0092 .0175 .0160 .0015 .0017 .0051 |
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OW1 -.0908 .3502 .3133 .0248 .0250 .0291 .0187 .0040 .0059 .0055 |
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OW2 .3400 .6427 .4888 .0201 .0283 .0191 .0152 .0088 .0064 .0075 |
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OW3 .2501 .1224 .4147 .0484 .070 .044 .0237 .028 .0044 .0033 |
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OW4 .7341 .0903 .4016 .0375 .046 .0227 .040 .0126 .0097 .0035 |
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H1 .006 .310 .268 .05 |
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H2 -.221 .292 .273 .05 |
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H3 .308 .738 .527 .05 |
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H4 .450 .637 .562 .05 |
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H5 .183 .193 .466 .05 |
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H6 .178 .091 .318 .05 |
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H7 .683 .033 .306 .05 |
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H8 .851 .054 .444 .05 |
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H9 .990 .859 .262 .05 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Iowaite |
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Braithwaite R S W, Dunn P J, Pritchard R G, Paar W H |
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Mineralogical Magazine 58 (1994) 79-85 |
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Iowaite, a re-investigation |
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Locality: Palabora open pit mine, Phalaborwa, Transvaal |
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_database_code_amcsd 0014506 |
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3.1183 3.1183 24.113 90 90 120 R-3m |
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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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Mg 0 0 0 .75 .0077 .0077 .0268 .0039 0 0 |
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Fe 0 0 0 .25 .0077 .0077 .0268 .0039 0 0 |
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O 1/3 2/3 .04206 .0166 .0166 .0191 .0058 0 0 |
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H 1/3 2/3 .0670 .010 |
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Cl .2105 .7895 1/6 .0417 .245 .232 .046 0 0 .017 |
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Wat .2105 .7895 1/6 .0833 .245 .232 .046 0 0 .017 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Herbertsmithite |
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Braithwaite R S W, Mereiter K, Paar W H, Clark A M |
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Mineralogical Magazine 68 (2004) 527-539 |
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Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite |
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Locality: Generosa mine, Sierra Gorda, Chile |
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_database_code_amcsd 0014573 |
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6.834 6.834 14.075 90 90 120 R-3 |
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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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Zn 0 0 .5 .0114 .0114 .0067 .0057 0 0 |
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Cu .5 0 0 .0081 .0076 .0109 .0038 .0011 .0023 |
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O .2056 -.2056 .0612 .0099 .0099 .0133 .0053 .0007 -.0007 |
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Cl 0 0 .1943 .0144 .0144 .0107 .0072 0 0 |
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H .1375 -.1375 .0862 .0400 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Herbertsmithite |
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Braithwaite R S W, Mereiter K, Paar W H, Clark A M |
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Mineralogical Magazine 68 (2004) 527-539 |
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Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite |
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Locality: Mina Los Tres Presidentes, Sierra Gorda, Chile |
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_database_code_amcsd 0014574 |
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6.834 6.834 14.075 90 90 120 R-3 |
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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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Zn 0 0 0 .0114 .0114 .0067 .0057 0 0 |
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Cu2 .5 0 0 .0081 .0076 .0109 .0038 .0011 .0023 |
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O .2056 -.2056 .0612 .0099 .0099 .0133 .0053 .0007 -.0007 |
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Cl 0 0 .1943 .0144 .0144 .0107 .0072 0 0 |
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H .1375 -.1375 .0862 .0400 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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Lafossaite |
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Roberts A C, Venance K E, Seward T M, Grice J D, Paar W H |
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The Mineralogical Record 37 (2006) 165-168 |
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Lafossaite, a new mineral from the La Fossa Crater, Vulcano, Italy |
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Locality: La Fossa Crater, Vulcano, Italy |
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_database_code_amcsd 0018089 |
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3.901 3.901 3.901 90 90 90 Pm3m |
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atom x y z |
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Tl 0 0 0 |
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Cl .5 .5 .5 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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