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Geigerite |
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Graeser S, Schwander H, Bianchi R, Pilati T, Gramaccioli C M |
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American Mineralogist 74 (1989) 676-684 |
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Geigerite, the Mn analogue of chudobaite: Its description and crystal structure |
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_database_code_amcsd 0001248 |
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7.944 10.691 6.770 80.97 84.20 81.85 P-1 |
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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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As1 .36967 .36543 .40344 0.0085 0.0098 0.0076 -.0015 -.0004 -.0011 |
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As2 -.03902 .33350 -.07716 0.0072 0.0061 0.0073 -.0008 -.0007 -.0008 |
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Mn1 0 0 0 0.0150 0.0093 0.0176 -.0006 -.0021 -.0011 |
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Mn2 .08271 .59557 .59920 0.0106 0.0102 0.0094 -.0011 -.0007 -.0018 |
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Mn3 .36170 .43412 -.10853 0.0095 0.0117 0.0090 -.0018 -.0010 -.0014 |
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O1 .1860 .3051 .3571 0.009 0.017 0.016 -.003 -.003 -.002 |
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O2 .5037 .2372 .4864 0.013 0.012 0.019 .003 -.006 .001 |
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O3 .4383 .4425 .1821 0.013 0.016 0.008 -.006 .000 .002 |
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O4 .3152 .4618 .5776 0.012 0.013 0.009 -.001 -.002 -.003 |
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O5 -.1173 .1969 -.0900 0.012 0.007 0.021 -.004 -.003 -.001 |
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O6 -.0480 .4268 -.3016 0.015 0.010 0.007 -.004 -.004 .001 |
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O7 .1677 .3102 -.0190 0.008 0.012 0.013 -.002 -.004 .001 |
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O8 -.1525 .4094 .1035 0.011 0.012 0.011 .002 .001 -.003 |
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O9 .1579 .7851 .5152 0.015 0.020 0.020 -.004 -.002 .001 |
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O10 .5324 .2478 -.1198 0.014 0.019 0.021 .001 -.002 -.005 |
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O11 .0863 .0436 .2751 0.032 0.026 0.026 -.008 -.004 -.009 |
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O12 .2321 .0620 -.1616 0.024 0.020 0.061 -.006 .017 -.008 |
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O13 .5542 -.0647 -.2428 0.032 0.041 0.067 .004 -.012 -.033 |
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H1 .179 .310 .211 0.09 |
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H91 .270 .778 .543 0.07 |
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H92 .125 .805 .375 0.10 |
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H101 .527 .227 -.234 0.10 |
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H102 .636 .230 -.111 0.05 |
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H111 .032 .074 .371 0.05 |
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H112 .186 .056 .274 0.05 |
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H121 .333 .033 -.191 0.11 |
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H122 .241 .137 -.146 0.05 |
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H131 .528 -.104 -.320 0.07 |
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H132 .554 -.138 -.127 0.33 |
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Fetiasite |
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Graeser S, Schwander H, Demartin F, Gramaccioli C M, Pilati T, Reusser E |
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American Mineralogist 79 (1994) 996-1002 |
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Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description |
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and structure determination |
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Note: Sample B |
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Locality: Legenbach quarry, Binnatal, Switzerland |
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_database_code_amcsd 0001675 |
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10.616 3.242 8.932 90 108.89 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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As1 .41010 .25 .66453 .0094 .0109 .0101 0 .00359 0 |
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As2 .24954 .25 .24816 .0101 .0106 .0114 0 .00416 0 |
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Fe1 .04912 .25 .86648 .0115 .0101 .0131 0 .0045 0 |
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Fe2 .64280 .25 .02237 .0080 .0087 .0107 0 .0031 0 |
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Fe .88267 .25 .39356 .38 .0191 .0144 .0121 0 .0022 0 |
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Ti .88267 .25 .39356 .58 .0191 .0144 .0121 0 .0022 0 |
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O1 .0816 .25 .1159 .0100 .022 .020 0 .0027 0 |
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O2 .3287 .25 .1036 .021 .021 .0194 0 .0135 0 |
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O3 .8324 .25 .1586 .0081 .020 .0094 0 .0010 0 |
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O4 .9928 .25 .6192 .0100 .043 .0100 0 .0021 0 |
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O5 .4335 .25 .8722 .0082 .027 .0103 0 .0025 0 |
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O6 .2347 .25 .5990 .010 .077 .015 0 .0034 0 |
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O7 .7275 .25 .6763 .5 .021 .015 .014 0 .005 0 |
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O8 .5518 .25 .3834 .5 .028 .024 .026 0 .014 0 |
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Fetiasite |
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Graeser S, Schwander H, Demartin F, Gramaccioli C M, Pilati T, Reusser E |
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American Mineralogist 79 (1994) 996-1002 |
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Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description |
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and structure determination |
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Note: Sample A |
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Locality: Cervandone |
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_database_code_amcsd 0001676 |
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10.614 3.252 8.945 90 108.95 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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As1 .40970 .25 .66474 .0088 .0095 .0088 0 .0027 0 |
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As2 .24978 .25 .24797 .0093 .0100 .0104 0 .0032 0 |
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Fe1 .04922 .25 .86648 .0113 .0102 .0123 0 .0039 0 |
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Fe2 .64241 .25 .02199 .0072 .0084 .0096 0 .0021 0 |
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Fe .88301 .25 .39371 .38 .0174 .0159 .0116 0 .0016 0 |
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Ti .88301 .25 .39371 .54 .0174 .0159 .0116 0 .0016 0 |
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O1 .0815 .25 .1156 .008 .024 .018 0 .000 0 |
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O2 .3292 .25 .1035 .020 .023 .017 0 .010 0 |
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O3 .8322 .25 .1581 .009 .022 .009 0 .0000 0 |
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O4 .9930 .25 .6193 .010 .047 .009 0 .0016 0 |
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O5 .4332 .25 .8726 .012 .027 .009 0 .0031 0 |
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O6 .2348 .25 .5993 .013 .091 .014 0 .002 0 |
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O7 .7279 .25 .6769 .5 .023 .012 .017 0 .005 0 |
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O8 .5520 .25 .3827 .5 .033 .026 .020 0 .008 0 |
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Sicherite |
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Graeser S, Berlepsch P, Makovicky E, Balic-Zunic T |
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American Mineralogist 86 (2001) 1087-1093 |
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Sicherite, TlAg2(As,Sb)3S6 - a new sulfosalt from Lengenbach (Binntal, Switzerland): |
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Description and structure determination |
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Locality: Legenbach quarry, Binnatal, Switzerland |
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_database_code_amcsd 0002673 |
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12.418 15.427 5.6895 90 90 90 Pmnb |
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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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Tl1 .25 .23322 .87013 .03965 .03737 .0354 .0462 0 0 .00179 |
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Ag1 .07814 .80769 .15465 .0586 .0418 .0397 .0944 -.0122 -.0176 .0171 |
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As1 .25 .9641 .806 .57 .0257 .019 .033 .026 0 0 -.002 |
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Sb1 .25 .9589 .796 .43 .031 .038 .0211 .036 0 0 .003 |
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As2 .0950 .0551 .2949 .73 .0243 .0157 .0248 .032 .0042 .0000 .0023 |
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Sb2 .0955 .0524 .3069 .27 .0292 .040 .031 .017 .002 -.0008 -.0035 |
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S1 .25 .14175 .3705 .0272 .0218 .0299 .0299 0 0 -.0050 |
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S2 .25 .89253 .1615 .0273 .0239 .0258 .0322 0 0 .0023 |
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S3 .10710 .06197 .8866 .0273 .0214 .0313 .0290 -.0031 -.0013 .0022 |
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S4 .97803 .16637 .3323 .0347 .0265 .0294 .0484 .0025 .0017 -.0006 |
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Xilingolite |
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Berlepsch P, Armbruster T, Makovicky E, Hejny C, Topa D, Graeser S |
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The Canadian Mineralogist 39 (2001) 1653-1663 |
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The crystal structure of (001) twinned xilingolite, Pb3Bi2S6, |
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from Mittal-Hohtenn, Valais, Switzerland |
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Locality: Mittal-Hohtenn, Valais, Switzerland |
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_database_code_amcsd 0005755 |
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13.511 4.0850 20.649 90 92.15 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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PbM1a .09675 .5 .13585 .67 .0381 .0367 .0428 .0347 0 .0011 0 |
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BiM1a .09675 .5 .13585 .33 .0381 .0367 .0428 .0347 0 .0011 0 |
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PbM1b .91787 .5 .63337 .67 .0399 .0399 .0417 .0380 0 -.0013 0 |
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BiM1b .91787 .5 .63337 .33 .0399 .0399 .0417 .0380 0 -.0013 0 |
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PbM2a .36535 .5 .04701 .67 .0386 .0367 .0407 .0383 0 .0005 0 |
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BiM2a .36535 .5 .04701 .33 .0386 .0367 .0407 .0383 0 .0005 0 |
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BiM2b .63998 .5 .55053 .0363 .0340 .0390 .0357 0 -.0008 0 |
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PbM3 .32697 0 .24043 .0503 .0473 .0456 .0575 0 -.0035 0 |
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S1a .2360 0 .1007 .045 .045 .047 .043 0 -.003 0 |
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S1b .7651 0 .5874 .048 .044 .037 .061 0 -.014 0 |
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S2a 0 .5 0 .044 .048 .045 .040 0 -.002 0 |
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S2b 0 .5 .5000 .042 .033 .038 .056 0 .007 0 |
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S3 .1846 .5 .2505 .036 .034 .047 .027 0 .002 0 |
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S4a .4624 .5 .1649 .042 .045 .047 .033 0 .004 0 |
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S4b .5569 .5 .6648 .037 .035 .047 .029 0 .001 0 |
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Gabrielite |
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Balic-Zunic T, Makovicky E, Karanovic L, Poleti D, Graeser S |
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The Canadian Mineralogist 44 (2006) 141-158 |
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The crystal structure of gabrielite, Tl2AgCu2As3S7, a new species |
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of thallium sulfosalt from Lengenbach, Switzerland |
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Locality: Lengenbach, Switzerland |
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_database_code_amcsd 0006071 |
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12.138 12.196 15.944 78.537 84.715 60.470 P-1 |
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atom x y z occ Uiso |
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Tl1 .38351 .48556 .43115 .0312 |
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Tl2 .23349 .89114 .49914 .0388 |
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Tl3 .62806 .84668 .46356 .0385 |
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Tl4 -.00007 .27521 .46826 .0471 |
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Tl5 .66667 .64355 .09277 .0389 |
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Tl6 .98277 -.0079 .09798 .0502 |
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Ag1 .1340 .6009 .2828 .38 .0388 |
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Cu1 .1340 .6009 .2828 .62 .0388 |
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Ag2 .1853 .0675 .2747 .14 .0362 |
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Cu2 .1853 .0675 .2747 .86 .0362 |
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Cu3 .6677 .1094 .2695 .0333 |
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Ag4 .9877 .4746 .3155 .06 .0320 |
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Cu4 .9877 .4746 .3155 .94 .0320 |
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Ag5 .4554 .8991 .3143 .06 .0349 |
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Cu5 .4554 .8991 .3143 .94 .0349 |
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Ag6 .5796 .3587 .3002 .10 .0410 |
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Cu6 .5796 .3587 .3002 .90 .0410 |
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Ag7 .8453 .2692 .2835 .26 .0335 |
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Cu7 .8453 .2692 .2835 .74 .0335 |
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Ag8 .8334 .7523 .2846 .84 .0311 |
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Cu8 .8334 .7523 .2846 .16 .0311 |
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Ag9 .3348 .7544 .2806 .79 .0318 |
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Cu9 .3348 .7544 .2806 .21 .0318 |
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As1 -.0071 .9304 .2972 .0173 |
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As2 .6726 .5751 .3357 .0144 |
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As3 .3332 .2538 .2878 .95 .0181 |
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Sb3 .3332 .2538 .2878 .05 .0181 |
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As4 .6547 .3772 .0767 .87 .0201 |
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Sb4 .6547 .3772 .0767 .13 .0201 |
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As5 .3347 .5449 .1504 .0184 |
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As6 .3920 .9315 .0763 .84 .0190 |
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Sb6 .3920 .9315 .0763 .16 .0190 |
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As7 .5890 .0339 .1548 .0183 |
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As8 .9525 .6356 .0761 .89 .0193 |
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Sb8 .9525 .6356 .0761 .11 .0193 |
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As9 .0814 .2971 .1535 .0175 |
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S1 .8184 .9306 .3576 .022 |
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S2 .1479 .7430 .3627 .034 |
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S3 .0106 .0724 .3581 .029 |
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S4 .8221 .5819 .4070 .022 |
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S5 .4915 .7057 .4014 .019 |
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S6 .7016 .3778 .3975 .021 |
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S7 .5071 .2152 .3599 .023 |
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S8 .1863 .3989 .3657 .027 |
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S9 .3171 .0807 .3621 .025 |
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S10 .7640 .2076 .1805 .028 |
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S11 .4630 .3752 .0821 .022 |
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S12 .2807 .7213 .0406 .026 |
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S13 .4834 .5567 .2135 .023 |
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S14 .2332 .9487 .1691 .030 |
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S15 .3998 .1179 .0861 .023 |
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S16 .7330 .9695 .0454 .026 |
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S17 .6114 .8430 .2160 .022 |
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S18 -.0059 .7294 .1687 .026 |
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S19 .1415 .4423 .0840 .022 |
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S20 .9862 .2717 .0453 .028 |
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S21 .9053 .4274 .2156 .024 |
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|
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Cervandonite-(Ce) |
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Demartin F, Gramaccioli C M, Graeser S |
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The Canadian Mineralogist 46 (2008) 423-430 |
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The crystal structure of cervandonite-(Ce), an interesting example of |
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As3+ - Si diadochy |
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Locality: Alpine fissures at Pizzo Cervandone, Scherbadung, Central Alps |
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Note: Chemistry from original description of the mineral. |
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_database_code_amcsd 0006185 |
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6.508 6.508 18.520 90 90 120 R3m |
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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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Ce 0 0 0 .44 .0203 .0225 .0225 .0159 .0113 0 0 |
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Nd 0 0 0 .22 .0203 .0225 .0225 .0159 .0113 0 0 |
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La 0 0 0 .21 .0203 .0225 .0225 .0159 .0113 0 0 |
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Th 0 0 0 .06 .0203 .0225 .0225 .0159 .0113 0 0 |
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Y 0 0 0 .03 .0203 .0225 .0225 .0159 .0113 0 0 |
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U 0 0 0 .02 .0203 .0225 .0225 .0159 .0113 0 0 |
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Ca 0 0 0 .02 .0203 .0225 .0225 .0159 .0113 0 0 |
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Fe3+ .1682 .3365 -.1661 .417 .0309 .0286 .0585 .0157 .0292 .0020 .0040 |
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Fe2+ .1682 .3365 -.1661 .140 .0309 .0286 .0585 .0157 .0292 .0020 .0040 |
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Ti .1682 .3365 -.1661 .313 .0309 .0286 .0585 .0157 .0292 .0020 .0040 |
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Al .1682 .3365 -.1661 .127 .0309 .0286 .0585 .0157 .0292 .0020 .0040 |
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Sn .1682 .3365 -.1661 .003 .0309 .0286 .0585 .0157 .0292 .0020 .0040 |
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As1 1/3 2/3 .3470 .58 .0183 .0232 .0232 .0084 .0116 0 0 |
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As2 1/3 2/3 -.0156 .58 .0311 .0400 .0400 .0133 .0200 0 0 |
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Si1 1/3 2/3 .3698 .42 .0291 |
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Si2 1/3 2/3 .1928 .42 .0188 |
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Si3 1/3 2/3 .1424 .42 .0188 |
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Si4 1/3 2/3 -.0355 .42 .0291 |
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O1 0 0 -.1404 .0710 |
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O2 0 0 .1400 .0720 |
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O3 .2024 .4048 .1673 .0291 |
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O4 .0608 .5304 .3926 .0349 |
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O5 .1926 .3853 -.0638 .0237 |
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O6 1/3 2/3 .2824 .0380 |
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O7 1/3 2/3 .0532 .0230 |
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|
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Krettnichite |
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Brugger J, Armbruster T, Criddle A J, Berlepsch P, Graeser S, Reeves S |
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European Journal of Mineralogy 13 (2001) 145-158 |
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Description, crystal structure, and paragenesis of krettnichite, |
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PbMn2(VO4)2(OH)2, the Mn3+ analogue of mounanaite |
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_database_code_amcsd 0006853 |
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9.2953 6.2894 7.6906 90 118.068 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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Pb 0 0 0 .83 .0221 .0231 .0177 .0251 0 .0109 0 |
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Sr 0 0 0 .17 .0221 .0231 .0177 .0251 0 .0109 0 |
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Mn 1/4 1/4 1/2 .0124 .0122 .0113 .0138 -.0005 .0062 -.0011 |
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V .9213 1/2 .2189 .0107 .0101 .0102 .013 0 .0060 0 |
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OH1 .3365 1/2 .420 .016 .010 .014 .020 0 .005 0 |
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O2 .315 0 .351 .020 .022 .020 .023 0 .013 0 |
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O3 .0432 .2737 .2645 .017 .016 .015 .018 .001 .008 -.002 |
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O4 .219 1/2 .012 .027 .025 .027 .022 0 .005 0 |
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|
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Struvite-K |
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Graeser S, Postl W, Bojar H P, Berlepsch P, Armbruster T, Raber T, Ettinger K, Walter F |
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European Journal of Mineralogy 20 (2008) 629-633 |
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Struvite-(K), KMgPO4*6H2O, the potassium equivalent of struvite - a new mineral |
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Locality: Lengenbach, Switzerland |
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_database_code_amcsd 0007262 |
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6.892 6.166 11.139 90 90 90 Pmn2_1 |
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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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K 0 .3662 .0032 .0586 .069 .0497 .057 0 0 .0120 |
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Mg 0 .3825 .6492 .0201 .0220 .0169 .0215 0 0 .0018 |
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P 0 -.0073 .2756 .0169 .0184 .0148 .0174 0 0 -.0007 |
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O1 0 -.0214 .1381 .0275 .029 .028 .026 0 0 .003 |
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O2 0 -.2381 .3293 .0272 .035 .018 .028 0 0 .006 |
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O3 .1820 .1109 .3186 .0239 .0228 .0218 .027 -.0017 .002 -.003 |
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O4 1/2 .3104 .0627 .049 .097 .021 .029 0 0 0 |
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O5 1/2 .9147 .2409 .042 .020 .036 .071 0 0 -.031 |
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O6 .2209 .2690 .5387 .0309 .027 .048 .018 .007 .001 -.005 |
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O7 .2892 .5110 .2642 .0400 .041 .023 .056 .005 .024 .013 |
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H41 1/2 .300 -.016 .037 |
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H42 1/2 .256 .134 .037 |
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H51 .391 .985 .251 .037 |
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H61 .195 .251 .467 .037 |
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H62 .303 .196 .584 .037 |
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H71 .238 .401 .278 .037 |
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H72 .186 .578 .290 .037 |
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|
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Tripuhyite |
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Berlepsch P, Armbruster T, Brugger J, Criddle A J, Graeser S |
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Mineralogical Magazine 67 (2003) 31-46 |
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Tripuhyte, FeSbO4, revisited |
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Locality: Tripuhy, Minas Gerais, Brazil |
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_database_code_amcsd 0014565 |
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4.625 4.625 3.059 90 90 90 P4_2/mnm |
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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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Fe 0 0 0 .47 .0136 .0164 .0164 .08 -.01 0 0 |
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Sb 0 0 0 .53 .0136 .0164 .0164 .08 -.01 0 0 |
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O -.304 .304 0 .008 |
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|
| Download AMC data (View Text File)
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Tripuhyite |
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Berlepsch P, Armbruster T, Brugger J, Criddle A J, Graeser S |
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Mineralogical Magazine 67 (2003) 31-46 |
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Tripuhyte, FeSbO4, revisited |
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Locality: Falotta, Grisons, Switzerland |
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_database_code_amcsd 0014566 |
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4.6433 4.6433 3.0815 90 90 90 P4_2/mnm |
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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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Fe 0 0 0 .53 .0070 .0091 .0091 .0029 .0007 0 0 |
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Sb 0 0 0 .47 .0070 .0091 .0091 .0029 .0007 0 0 |
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O .193 -.193 .5 .006 |
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|
| Download AMC data (View Text File)
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Erniggliite |
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Graeser S, Schwander H, Wulf R, Edenharter A |
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Schweizerische Mineralogische und Petrographische Mitteilungen 72 (1992) 293-305 |
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Erniggliite (Tl2SnAs2S6), a new mineral from Lengenbach, Binntal (Switzerland): |
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description and crystal structure determination based on data from synchrotron radiation |
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Locality: Lengenbach, Binntal, Switzerland |
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_database_code_amcsd 0015406 |
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6.680 6.680 7.164 90 90 120 P-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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Sn 0 0 0 .0103 .0077 .0077 .0156 .0039 0 0 |
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Tl 1/3 2/3 .3823 .0377 .0461 .0461 .0208 .0231 0 0 |
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As 1/3 2/3 .9266 .0161 .0163 .0163 .0157 .0081 0 0 |
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S .2051 .3346 .7684 .0196 .0269 .0102 .0180 .0065 .0056 .0015 |
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Stalderite |
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Graeser S, Schwander H, Wulf R, Edenharter A |
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Schweizerische Mineralogische und Petrographische Mitteilungen 75 (1995) 337-345 |
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Stalderite TlCu(Zn,Fe,Hg)2As2S6 - a new mineral related to routhierite: |
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description and crystal structure determination |
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Locality: Lengenbach, Binntal, Ct. Valais, Switzerland |
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_database_code_amcsd 0015409 |
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9.865 9.865 10.938 90 90 90 I-42m |
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atom x y z occ Uiso |
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Tl 0 0 .3501 .0453 |
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Cu 0 .5 .25 .0096 |
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Zn .2253 .5 .5 .58 .0183 |
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Fe .2253 .5 .5 .23 .0183 |
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Hg .2253 .5 .5 .19 .0183 |
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As .2628 .2628 .2495 .0177 |
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S1 .1010 .3385 .3801 .0148 |
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S2 .1265 .1265 .1330 .0143 |
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