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Carlfriesite |
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Effenberger H, Zemann J, Mayer H |
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American Mineralogist 63 (1978) 847-852 |
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Carlfriesite: crystal structure, revision of chemical formula, and synthesis |
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_database_code_amcsd 0000684 |
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12.576 5.662 9.994 90 115.56 90 C2/c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Te1 .71563 .58751 .85825 .001651 .006691 .002070 -.000023 .000875 -.000421 |
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Te2 0 0 0 .001031 .005186 .000895 -.000241 .000269 -.000010 |
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Ca 0 .4404 .25 .000660 .003509 .001353 0 .000073 0 |
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O1 .0804 .2183 .6616 .76 |
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O2 .0980 .2441 .1171 .83 |
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O3 .1043 .0928 .4068 .56 |
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O4 .6839 .1042 .4098 .67 |
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Krausite |
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Effenberger H, Pertlik F, Zemann J |
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American Mineralogist 71 (1986) 202-205 |
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Refinement of the crystal structure of krausite: a mineral with an |
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interpolyhedral oxygen-oxygen contact shorter than the hydrogen bond |
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_database_code_amcsd 0001008 |
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7.920 5.146 9.014 90 102.76 90 P2_1/m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K .5746 .25 .2150 .004483 .018220 .005919 0 .000663 0 |
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Fe .0896 .25 .2278 .005196 .009346 .003849 0 .001068 0 |
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S1 .6653 .25 .6531 .005237 .009535 .005046 0 .000037 0 |
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O1 .7399 .25 .5191 .011229 .017465 .005790 0 .001693 0 |
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O2 .4794 .25 .6210 .004777 .023130 .010254 0 -.000920 0 |
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O3 .7287 .0179 .7499 .007710 .011518 .006760 .003962 .002393 .002100 |
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S2 .1554 .25 .8817 .004148 .007647 .003817 0 .001141 0 |
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O4 .0619 .25 .0062 .007458 .008591 .004108 0 .001878 0 |
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O5 .3414 .25 .9354 .003813 .023979 .007019 0 -.000258 0 |
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O6 .1014 .0167 .7861 .007207 .011612 .006178 -.002453 .003129 -.002542 |
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O7 .1035 .25 .4554 .011732 .016804 .005434 0 .000699 0 |
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H .145 .368 .488 .70 |
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Tschortnerite |
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Effenberger H, Giester G, Krause W, Bernhardt H J |
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American Mineralogist 83 (1998) 607-617 |
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Tschortnerite, a copper-bearing zeolite from the Bellberg volcano, Eifel, |
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Germany |
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_database_code_amcsd 0002008 |
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31.62 31.62 31.62 90 90 90 Fm3m |
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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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Ca1 .09965 .09965 .09965 .0259 .0259 .0259 .0021 .0021 .0021 |
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Ca2 .20984 .20984 .20984 .0156 .0156 .0156 -.0011 -.0011 -.0011 |
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CaM .17945 .27909 0 .27 .0384 .0407 .0229 -.0110 0 0 |
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SrM .17945 .27909 0 .18 .0384 .0407 .0229 -.0110 0 0 |
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KM .17945 .27909 0 .12 .0384 .0407 .0229 -.0110 0 0 |
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BaM .17945 .27909 0 .05 .0384 .0407 .0229 -.0110 0 0 |
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Cu .07339 .07339 0 .0308 .0308 .0263 -.0013 0 0 |
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Si1 .10993 .18083 .24967 .5 .0119 .0117 .0112 .0005 -.0008 -.0016 |
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Al1 .10993 .18083 .24967 .5 .0119 .0117 .0112 .0005 -.0008 -.0016 |
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Si2 .05044 .12239 .19243 .5 .0101 .0119 .0141 .0007 -.0016 -.0008 |
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Al2 .05044 .12239 .19243 .5 .0101 .0119 .0141 .0007 -.0016 -.0008 |
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Ot1 .06740 .15559 .23003 .0174 .0212 .0188 -.0022 .0002 -.0026 |
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Ot2 .21169 .21169 .13239 .0200 .0200 .0123 -.0002 -.0001 -.0001 |
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Ot3 .21022 .21022 .40798 .0164 .0164 .0174 .0039 -.0014 -.0014 |
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Ot4 .14640 .14640 .26611 .0254 .0254 .0147 .0051 .0000 .0000 |
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Ot5 .14402 .14402 .05687 .0180 .0180 .0430 -.0012 -.0017 -.0017 |
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Ot6 .07720 .07720 .19159 .0190 .0190 .0385 .0064 -.0046 -.0046 |
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Ot7 .11259 .20286 0 .0310 .0366 .0105 -.0048 0 0 |
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OH1 .04506 .04506 .10539 .0256 .0256 .0308 .0022 -.0005 -.0005 |
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OH2 .28335 .28335 .28335 .0164 .0164 .0164 .0002 .0002 .0002 |
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ClX 0 0 0 .224 .011 |
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Wat1 .041 0 0 .181 .068 |
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Wat2 .0262 .0262 .0262 .243 .050 |
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WatD6 .1467 .1467 .1467 .123 |
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Wat8 .0159 .1842 0 .305 .111 |
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WatD8 .2087 .2339 0 .5 .047 |
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WatT1 .0085 .1316 .3048 .220 .132 |
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WatT2 .3599 .3599 .3599 .072 |
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WatT3 .0336 .0336 .2642 .195 .10 |
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WatT4 .0714 .0888 .3105 .189 .10 |
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WatT5 .0514 .1204 .3298 .400 .213 |
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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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Neustadtelite |
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Krause W, Bernhardt H J, McCammon C A, Effenberger H |
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American Mineralogist 87 (2002) 726-738 |
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Neustadtelite and cobaltneustadtelite, the Fe- and Co- analogues of medenbachite |
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_database_code_amcsd 0002815 |
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4.566 6.158 8.972 95.52 99.51 92.85 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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Bi1 .1615 .2955 .4012 .49 .0404 .0272 .0253 .0153 .0036 .0010 |
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Ca1 .1615 .2955 .4012 .01 .0404 .0272 .0253 .0153 .0036 .0010 |
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Bi2 .2590 .3225 .3934 .49 .0350 .0247 .0253 .0114 .0031 .0023 |
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Ca2 .2590 .3225 .3934 .01 .0350 .0247 .0253 .0114 .0031 .0023 |
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FeM1 0 0 0 .0194 .0188 .0191 .0070 .0017 .0018 |
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FeM2 0 .5 0 .5 .0171 .0147 .0177 .0054 .0038 .0045 |
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CoM2 0 .5 0 .38 .0171 .0147 .0177 .0054 .0038 .0045 |
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NiM2 0 .5 0 .04 .0171 .0147 .0177 .0054 .0038 .0045 |
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AlM2 0 .5 0 .05 .0171 .0147 .0177 .0054 .0038 .0045 |
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ZnM2 0 .5 0 .01 .0171 .0147 .0177 .0054 .0038 .0045 |
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CuM2 0 .5 0 .01 .0171 .0147 .0177 .0054 .0038 .0045 |
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As .5462 .7913 .21425 .0208 .0189 .0196 .0075 .0029 .0031 |
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O1 .3281 .5603 .1963 .025 .020 .032 .007 .003 .011 |
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OH2 .1531 .7427 .8902 .024 .022 .025 .003 -.003 .007 |
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O3 .3443 .0063 .1764 .015 .026 .028 .004 -.001 .007 |
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O4 .2269 .2422 .9198 .028 .026 .018 .013 .007 .002 |
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O5 .2699 .6196 .5353 .026 .040 .020 .005 -.004 -.008 |
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O6 .2472 .1436 .6133 .034 .040 .025 .007 -.007 -.003 |
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Cobaltneustadtelite |
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Krause W, Bernhardt H J, McCammon C A, Effenberger H |
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American Mineralogist 87 (2002) 726-738 |
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Neustadtelite and cobaltneustadtelite, the Fe- and Co- analogues of medenbachite |
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_database_code_amcsd 0002816 |
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9.144 6.146 9.337 83.30 70.67 87.14 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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Bi12 .09029 .31050 .60632 .0624 .0265 .0215 -.0173 -.0141 -.0004 |
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Bi1 .6241 .2935 .5993 .475 .0473 .0355 .0273 -.0148 -.0094 -.0034 |
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Ca1 .6241 .2935 .5993 .025 .0473 .0355 .0273 -.0148 -.0094 -.0034 |
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Bi2 .5601 .3258 .6115 .475 .0426 .0310 .0269 -.0091 -.0130 -.0014 |
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Ca2 .5601 .3258 .6115 .025 .0426 .0310 .0269 -.0091 -.0130 -.0014 |
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FeM1 0 0 0 .0102 .0177 .0159 .0003 -.0052 -.0031 |
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FeM2 0 .5 0 .63 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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CoM2 0 .5 0 .16 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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NiM2 0 .5 0 .19 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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ZnM2 0 .5 0 .02 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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As .1666 .2080 .2147 .0172 .0186 .0169 .0013 -.0080 -.0047 |
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O1 .0658 .4426 .1952 .009 .027 .015 .012 .001 -.001 |
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OH2 .1318 .2563 .8879 .004 .025 .019 .003 -.001 -.005 |
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O3 .0800 -.0081 .1801 .018 .018 .027 .001 -.012 .000 |
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O4 .3445 .2432 .0832 .019 .022 .021 .010 -.009 -.016 |
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OH5 .1296 .6231 .4666 .5 .006 .040 .027 -.008 -.009 .013 |
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O5 .1296 .6231 .4666 .5 .006 .040 .027 -.008 -.009 .013 |
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O6 .1824 .1427 .3897 .039 .050 .027 .018 -.028 -.006 |
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FeM1* .5 0 0 .0102 .0177 .0159 .0003 -.0052 -.0031 |
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FeM2* .5 .5 0 .63 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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CoM2* .5 .5 0 .16 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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NiM2* .5 .5 0 .19 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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ZnM2* .5 .5 0 .02 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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As* .6666 .2080 .2147 .0172 .0186 .0169 .0013 -.0080 -.0047 |
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O1* .5658 .4426 .1952 .009 .027 .015 .012 .001 -.001 |
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OH2* .6318 .2563 .8879 .004 .025 .019 .003 -.001 -.005 |
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O3* .5800 -.0081 .1801 .018 .018 .027 .001 -.012 .000 |
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O4* .8445 .2432 .0832 .019 .022 .021 .010 -.009 -.016 |
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OH5* .6296 .6231 .4666 .5 .006 .040 .027 -.008 -.009 .013 |
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O5* .6296 .6231 .4666 .5 .006 .040 .027 -.008 -.009 .013 |
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O6* .6824 .1427 .3897 .039 .050 .027 .018 -.028 -.006 |
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Medenbachite |
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Krause W, Bernhardt H J, McCammon C A, Effenberger H |
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American Mineralogist 87 (2002) 726-738 |
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Neustadtelite and cobaltneustadtelite, the Fe- and Co- analogues of medenbachite |
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_database_code_amcsd 0002817 |
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9.162 6.178 9.341 83.50 71.04 85.15 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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Bi12 .09222 .3115 .6089 .0308 .0160 .0117 -.0015 -.0066 -.0016 |
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Bi1 .6361 .2892 .5986 .5 .050 .048 .032 -.008 -.011 .002 |
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Bi2 .5520 .3308 .6168 .5 .053 .039 .029 -.003 -.011 -.005 |
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FeM1 0 0 0 .024 .027 .021 .000 -.008 -.002 |
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CuM2 0 .5 0 .027 .022 .025 .004 -.010 -.006 |
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As .1610 .1995 .2180 .0302 .0265 .0204 .0011 -.0094 -.0035 |
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O1 .0600 .436 .1982 .016 .029 .033 -.001 -.010 -.005 |
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OH2 .1244 .254 .9000 .026 .037 .021 -.003 -.013 -.006 |
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O3 .0765 -.012 .1844 .036 .022 .035 .008 -.023 -.008 |
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O4 .3365 .230 .0830 .047 .036 .016 .020 -.008 -.013 |
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OH5 .1322 .618 .4591 .5 .033 .037 .040 -.006 -.021 .001 |
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O5 .1322 .618 .4591 .5 .033 .037 .040 -.006 -.021 .001 |
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O6 .1830 .142 .3904 .031 .044 .017 .003 -.005 -.004 |
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FeM1* .5 0 0 .024 .027 .021 .000 -.008 -.002 |
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CuM2* .5 .5 0 .027 .022 .025 .004 -.010 -.006 |
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As* .6610 .1995 .2180 .0302 .0265 .0204 .0011 -.0094 -.0035 |
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O1* .5600 .436 .1982 .016 .029 .033 -.001 -.010 -.005 |
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OH2* .6244 .254 .9000 .026 .037 .021 -.003 -.013 -.006 |
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O3* .5765 -.012 .1844 .036 .022 .035 .008 -.023 -.008 |
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O4* .8365 .230 .0830 .047 .036 .016 .020 -.008 -.013 |
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OH5* .6322 .618 .4591 .5 .033 .037 .040 -.006 -.021 .001 |
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O5* .6322 .618 .4591 .5 .033 .037 .040 -.006 -.021 .001 |
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O6* .6830 .142 .3904 .031 .044 .017 .003 -.005 -.004 |
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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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Hydroxylellestadite |
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Onac B P, Effenberger H, Ettinger K, Panzaru S P |
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American Mineralogist 91 (2006) 1927-1931 |
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Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical, |
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structural, and vibrational spectroscopy data |
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Locality: Cioclovina Cave, Sureanu Mountains, Romania |
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_database_code_amcsd 0004257 |
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9.496 9.496 6.920 90 90 120 P6_3/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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Ca1 1/3 2/3 .00183 .02887 .0372 .0372 .0123 .0186 0 0 |
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Ca2 .24567 .99330 .25 .02440 .0276 .0281 .0173 .0138 0 0 |
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SiT .39939 .37013 .25 .42 .01300 .0147 .0133 .0120 .0077 0 0 |
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ST .39939 .37013 .25 .36 .01300 .0147 .0133 .0120 .0077 0 0 |
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PT .39939 .37013 .25 .22 .01300 .0147 .0133 .0120 .0077 0 0 |
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O1 .3276 .4848 .25 .0248 .0359 .0244 .0208 .0201 0 0 |
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O2 .5879 .4659 .25 .0263 .0186 .0193 .0387 .0077 0 0 |
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O3 .3460 .2592 .0696 .0328 .0521 .0305 .0244 .0271 -.0166 -.0070 |
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OHZ 0 0 .1975 .41 .0347 .0170 .0170 .070 .0085 0 0 |
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FZ 0 0 .1975 .045 .0347 .0170 .0170 .070 .0085 0 0 |
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ClZ 0 0 .1975 .035 .0347 .0170 .0170 .070 .0085 0 0 |
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Ellestadite-(OH) |
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Onac B P, Effenberger H, Ettinger K, Panzaru S P |
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American Mineralogist 91 (2006) 1927-1931 |
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Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical, |
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structural, and vibrational spectroscopy data |
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Locality: Cioclovina Cave, Sureanu Mountains, Romania |
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_database_code_amcsd 0004258 |
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9.496 9.496 6.920 90 90 120 P6_3/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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Ca1 1/3 2/3 .00183 .02887 .0372 .0372 .0123 .0186 0 0 |
|
Ca2 .24567 .99330 .25 .02440 .0276 .0281 .0173 .0138 0 0 |
|
SiT .39939 .37013 .25 .42 .01300 .0147 .0133 .0120 .0077 0 0 |
|
ST .39939 .37013 .25 .36 .01300 .0147 .0133 .0120 .0077 0 0 |
|
PT .39939 .37013 .25 .22 .01300 .0147 .0133 .0120 .0077 0 0 |
|
O1 .3276 .4848 .25 .0248 .0359 .0244 .0208 .0201 0 0 |
|
O2 .5879 .4659 .25 .0263 .0186 .0193 .0387 .0077 0 0 |
|
O3 .3460 .2592 .0696 .0328 .0521 .0305 .0244 .0271 -.0166 -.0070 |
|
OHZ 0 0 .1975 .41 .0347 .0170 .0170 .070 .0085 0 0 |
|
FZ 0 0 .1975 .045 .0347 .0170 .0170 .070 .0085 0 0 |
|
ClZ 0 0 .1975 .035 .0347 .0170 .0170 .070 .0085 0 0 |
|
|
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|
| |
|
Berlinite |
|
Onac B P, Effenberger H S |
| |
American Mineralogist 92 (2007) 1998-2001 |
|
Re-examination of berlinite (AlPO4) from the Cioclovina Cave, Romania |
|
Locality: Cioclovina Cave, Romania |
|
_database_code_amcsd 0004489 |
|
4.9458 4.9458 10.9526 90 90 120 *P3_121 |
|
0 0 1/3 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al .46649 0 1/3 .01073 .01152 .00976 .01031 .00488 -.000215 -.00043 |
|
P .46689 0 5/6 .01111 .01225 .00970 .01054 .00485 -.000155 -.00031 |
|
O1 .4157 .2911 .39763 .01740 .0228 .0166 .0160 .0122 -.0028 -.00438 |
|
O2 .4150 .2575 .88400 .01733 .0225 .0161 .0172 .0125 -.0041 -.0048 |
|
|
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|
| |
|
Mrazekite |
|
Effenberger H, Krause W, Belendorff K, Bernhardt H J, Medenbach O, Hybler J, Petricek V |
|
The Canadian Mineralogist 32 (1994) 365-372 |
|
Revision of the crystal structure of mrazekite, Bi2Cu3(OH)2O2(PO4)2.2H2O |
|
_database_code_amcsd 0005364 |
|
9.065 6.340 21.239 90 101.57 90 P2_1/n |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .36464 .25135 .04570 .0185 .0160 .0155 .0003 .0034 .0002 |
|
Bi2 .38662 .19971 .20523 .0173 .0161 .0147 .0000 .0031 .0000 |
|
Cu1 0 0 0 .0171 .0173 .0248 -.0016 .0037 -.0001 |
|
Cu2 0 .5 0 .0174 .0167 .0248 .0023 .0039 .0007 |
|
Cu3 .3719 .7251 .1251 .0276 .0134 .0151 .0000 .0035 .0002 |
|
Cu4 .7461 .4532 .2469 .0171 .0188 .0247 -.0024 .0041 .0001 |
|
P1 .7237 .2688 .0281 .0178 .0164 .0166 .0007 .0042 .0004 |
|
P2 .0284 .2192 .2226 .0181 .0160 .0147 -.0001 .0042 .0001 |
|
O11 .631 .247 .0803 .020 .036 .028 .002 .007 .0000 |
|
O12 .809 .064 .0224 .026 .015 .037 -.002 .006 .0000 |
|
O13 .610 .315 -.0345 .030 .033 .014 -.006 .004 -.003 |
|
O14 .832 .460 .0417 .022 .022 .031 .000 .005 .000 |
|
O21 .115 .189 .1690 .012 .027 .017 -.002 .001 .000 |
|
O22 -.056 .013 .2299 .020 .020 .033 .000 .006 -.002 |
|
O23 -.081 .407 .2086 .022 .022 .039 .000 .009 .002 |
|
O24 .147 .267 .2847 .023 .032 .019 .001 .005 -.001 |
|
Oo1 .378 .025 .1200 .023 .018 .019 .004 .004 .003 |
|
Oo2 .372 .425 .1307 .022 .014 .020 .002 .005 .000 |
|
OH1 .652 .195 .2068 .024 .020 .019 -.001 .005 .000 |
|
OH2 .099 .254 .0436 .018 .018 .026 .002 .003 .002 |
|
Wat1 .065 .769 .1050 .034 .052 .026 -.008 .004 -.001 |
|
Wat2 .685 .735 .1403 .064 .065 .021 -.012 -.002 .000 |
|
|
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|
| |
|
Orthowalpurgite |
|
Krause W, Effenberger H, Brandstatter F |
| |
European Journal of Mineralogy 7 (1995) 1313-1324 |
|
Orthowalpurgite, (UO2)Bi4O4(AsO4)2.2H2O, |
|
a new mineral from the Black Forest, Germany |
|
Locality: Black Forest, Germany |
|
_database_code_amcsd 0006607 |
|
5.492 13.324 20.685 90 90 90 Pbcm |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U .6850 -.0150 1/4 .020 .0154 .0266 .0187 -.0019 0 0 |
|
Bi1 .6754 .10257 .03039 .012 .0067 .0120 .0162 .0000 -.0015 -.0001 |
|
Bi2 .2199 .30468 .07715 .012 .0091 .0123 .0141 -.0011 .0006 .0000 |
|
As .2014 .0033 .1292 .014 .012 .016 .014 -.003 .001 .0004 |
|
Ou1 .804 -.147 1/4 .045 |
|
Ou2 .560 .121 1/4 .031 |
|
Oo1 .399 .434 .0352 .015 |
|
Oo2 .484 1/4 0 .010 |
|
Oo3 .005 1/4 0 .018 |
|
Oa1 .335 .111 .1009 .012 |
|
Oa2 .397 -.064 .3250 .021 |
|
Oa3 .103 -.071 .0672 .012 |
|
Oa4 -.053 .033 .1708 .018 |
|
Wat .762 .246 .1459 .037 |
|
|
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|
| |
|
Ferrilotharmeyerite |
|
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
| |
European Journal of Mineralogy 10 (1998) 179-206 |
|
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
|
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
|
_database_code_amcsd 0006708 |
|
9.010 6.246 7.391 90 115.52 90 C2/m |
|
atom x y z occ Biso |
|
CaMe1 0 0 0 .92 |
|
FeMe2 .25 .25 .5 .497 .73 |
|
ZnMe2 .25 .25 .5 .503 .73 |
|
AsX .91466 .5 .20451 .60 |
|
OH1 .3439 .5 .4083 .92 |
|
O2 .3183 0 .3621 1.12 |
|
O3 .0339 .2798 .2453 .89 |
|
O4 .2429 .5 .0206 1.24 |
|
|
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|
| |
|
Thometzekite |
|
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
| |
European Journal of Mineralogy 10 (1998) 179-206 |
|
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
|
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
|
_database_code_amcsd 0006709 |
|
9.077 6.300 7.661 90 116.99 90 C2/m |
|
atom x y z occ Biso |
|
PbMe1 0 0 0 2.38 |
|
CuMe2 .25 .25 .5 1.44 |
|
AsX .9167 .5 .2097 .617 1.45 |
|
SX .9167 .5 .2097 .383 1.45 |
|
OH1 .3426 .5 .4204 1.91 |
|
O2 .3083 0 .3267 2.31 |
|
O3 .0308 .2887 .2623 1.83 |
|
O4 .2084 .5 .0180 2.82 |
|
|
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|
| |
|
Mounanaite |
|
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
| |
European Journal of Mineralogy 10 (1998) 179-206 |
|
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
|
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
|
_database_code_amcsd 0006710 |
|
9.294 6.166 7.713 90 115.57 90 C2/m |
|
atom x y z Biso |
|
PbMe1 0 0 0 1.82 |
|
FeMe2 .25 .25 .5 1.51 |
|
VX .9228 .5 .2256 1.29 |
|
F1 .3368 .5 .4183 1.43 |
|
O2 .3185 0 .3722 2.00 |
|
O3 .0406 .2729 .2663 1.40 |
|
O4 .2125 .5 -.0053 1.72 |
|
|
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|
| |
|
Gartrellite |
|
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
| |
European Journal of Mineralogy 10 (1998) 179-206 |
|
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
|
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
|
_database_code_amcsd 0006711 |
|
5.431 5.642 7.573 67.62 69.57 70.31 P-1 |
|
atom x y z Biso |
|
PbMe1 0 0 0 .07 |
|
FeMe2 0 .5 .5 1.40 |
|
CuMe2 .5 0 .5 1.40 |
|
AsX .4100 .4347 .7920 1.00 |
|
OH1 .146 .171 .4198 .62 |
|
O2 .284 .306 .6702 .62 |
|
O3a .251 .685 .2815 .62 |
|
O3b .686 .230 .2723 .62 |
|
O4 .261 .275 .0366 .62 |
|
|
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|
| |
|
Helmutwinklerite |
|
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
| |
European Journal of Mineralogy 10 (1998) 179-206 |
|
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
|
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
|
_database_code_amcsd 0006712 |
|
5.606 5.610 7.617 70.19 69.91 69.18 P-1 |
|
atom x y z Biso |
|
PbMe1 0 0 0 2.72 |
|
Zn1 0 .5 .5 1.82 |
|
Zn2 .5 0 .5 1.84 |
|
AsX .42101 .42320 .77763 1.74 |
|
OH1 .1554 .1572 .4059 3.10 |
|
O2 .3131 .3093 .6509 1.89 |
|
O3a .2495 .6831 .2581 2.56 |
|
O3b .6842 .2471 .2610 2.42 |
|
O4 .2786 .2874 .0085 5.03 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Schneebergite |
|
Krause W, Bernhardt H J, Effenberger H, Witzke T |
| |
European Journal of Mineralogy 14 (2002) 115-126 |
|
Schneebergite and nickelschneebergite from Schneeberg, Saxony, Germany: |
|
the first Bi-bearing members of the tsumcorite group |
|
Sample: #358 |
|
Locality: Schneeberg, Saxony, Germany |
|
_database_code_amcsd 0006924 |
|
9.005 6.211 7.440 90 115.19 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 0 0 .653 .0137 .0160 .0111 .0156 0 .0081 0 |
|
CaMe1 0 0 0 .347 .0137 .0160 .0111 .0156 0 .0081 0 |
|
CoMe2 .25 .25 .5 .52 .0068 .0061 .0061 .0068 -.0001 .0013 -.0004 |
|
NiMe2 .25 .25 .5 .30 .0068 .0061 .0061 .0068 -.0001 .0013 -.0004 |
|
FeMe2 .25 .25 .5 .18 .0068 .0061 .0061 .0068 -.0001 .0013 -.0004 |
|
As .91418 .5 .20607 .0075 .0059 .0066 .0095 0 .0030 0 |
|
OH1 .3485 .5 .4138 .5 .0119 .011 .015 .009 0 .004 0 |
|
Wat1 .3485 .5 .4138 .5 .0119 .011 .015 .009 0 .004 0 |
|
O2 .3186 0 .3599 .0117 .011 .011 .024 0 .017 0 |
|
O3 .0336 .2799 .2421 .0094 .009 .006 .010 .002 .000 -.002 |
|
O4 .2425 .5 .0198 .0172 .011 .027 .009 0 .000 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nickelschneebergite |
|
Krause W, Bernhardt H J, Effenberger H, Witzke T |
| |
European Journal of Mineralogy 14 (2002) 115-126 |
|
Schneebergite and nickelschneebergite from Schneeberg, Saxony, Germany: |
|
the first Bi-bearing members of the tsumcorite group |
|
Sample: #374 |
|
Locality: Schneeberg, Saxony, Germany |
|
_database_code_amcsd 0006925 |
|
8.995 6.207 7.462 90 115.00 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 0 0 .551 .0154 .0184 .0126 .0168 0 .0091 0 |
|
CaMe1 0 0 0 .449 .0154 .0184 .0126 .0168 0 .0091 0 |
|
NiMe2 .25 .25 .5 .5 .0086 .0089 .0078 .0084 .0002 .0031 .0000 |
|
CoMe2 .25 .25 .5 .31 .0086 .0089 .0078 .0084 .0002 .0031 .0000 |
|
FeMe2 .25 .25 .5 .2 .0086 .0089 .0078 .0084 .0002 .0031 .0000 |
|
As .91509 .5 .20707 .0093 .0084 .0088 .0114 0 .0048 0 |
|
OH1 .3476 .5 .4141 .5 .017 .020 .017 .015 0 .008 0 |
|
Wat1 .3476 .5 .4141 .5 .017 .020 .017 .015 0 .008 0 |
|
O2 .3203 0 .3658 .009 .011 .006 .019 0 .014 0 |
|
O3 .0330 .2810 .2425 .012 .017 .009 .013 .004 .007 .000 |
|
O4 .2424 .5 .0204 .018 .022 .027 .004 0 .004 0 |
|
|
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|
| |
|
Schlegelite |
| |
Krause W, Bernhardt N J, Effenberger H |
| |
European Journal of Mineralogy 18 (2006) 803-811 |
|
Schlegelite, Bi7O4(MoO4)2(AsO4)3, a new mineral from Schneeberg, Saxony, |
|
Germany |
|
Locality: Pucher Richtschacht, Schneeberg, Saxony, Germany |
|
_database_code_amcsd 0007187 |
|
5.299 16.133 23.948 90 90 90 Pnca |
|
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 0 .82100 .0259 .0263 .0333 .0181 0 0 .0049 |
|
Bi2 .20136 .17526 .31301 .0238 .0231 .0257 .0227 -.0023 .0031 -.0020 |
|
Bi3 .30289 .16056 .56105 .0213 .0181 .0240 .0216 -.0021 .0011 -.0017 |
|
Bi4 .25882 .32375 .44420 .0214 .0228 .0215 .0199 .0002 -.0015 -.0017 |
|
Mo1 .25 0 .07488 .89 .0172 .0153 .0178 .0186 0 0 .0001 |
|
PMo1 .25 0 .07488 .08 .0172 .0153 .0178 .0186 0 0 .0001 |
|
VMo1 .25 0 .07488 .03 .0172 .0153 .0178 .0186 0 0 .0001 |
|
Mo2 .25 0 .67760 .89 .0190 .0216 .0173 .0181 0 0 -.0031 |
|
PMo2 .25 0 .67760 .08 .0190 .0216 .0173 .0181 0 0 -.0031 |
|
VMo2 .25 0 .67760 .03 .0190 .0216 .0173 .0181 0 0 -.0031 |
|
As3 .25 0 .42911 .0165 .0173 .0167 .0156 0 0 -.0040 |
|
As4 .2509 .16929 .17204 .0179 .0194 .0195 .0149 .0009 .0016 .0045 |
|
O11 .146 -.0785 .0312 .030 .031 .030 .030 -.003 .004 -.003 |
|
O12 -.025 .0481 .1072 .025 .028 .018 .028 .005 .010 -.004 |
|
O21 .029 .0383 .7251 .025 .024 .021 .030 .004 -.004 .005 |
|
O22 .400 .1008 .6553 .023 .023 .025 .019 .002 -.007 -.012 |
|
O31 .025 -.0473 .3899 .031 .040 .027 .026 .006 -.014 -.013 |
|
O32 .383 -.0743 .4695 .024 .026 .030 .016 -.002 -.003 .0112 |
|
O41 .420 .2337 .2139 .026 .028 .038 .013 .001 .004 -.012 |
|
O42 .452 .1013 .1438 .032 .040 .038 .017 -.002 .002 .020 |
|
O43 .047 .1261 .2166 .031 .046 .026 .021 .000 .010 -.011 |
|
O44 .102 .2249 .1231 .022 .025 .014 .026 .005 -.012 .000 |
|
O1 .495 .2481 .4980 .021 .019 .030 .014 .003 .002 .001 |
|
O2 .116 .2231 .3972 .022 .024 .024 .017 -.003 .009 -.007 |
|
|
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|
| |
|
Skorpionite |
| |
Krause W, Effenberger H, Bernhardt H-J, Medenbach O |
| |
European Journal of Mineralogy 20 (2008) 271-280 |
|
Skorpionite, Ca3Zn2(PO4)2CO3(OH)2*H2O, a new mineral from Namibia: description |
|
and crystal structure |
|
Locality: near Rosh Pinah mine, Luderitz district, Karas region, Namibia, Africa |
|
_database_code_amcsd 0007259 |
|
19.045 9.320 6.525 90 92.73 90 C2/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) |
|
Zn .170688 .04391 .41120 .01552 .01380 .01906 .01365 -.00242 .00023 .00474 |
|
Ca1 0 .59791 .25 .01225 .01049 .01400 .01221 0 .00018 0 |
|
Ca2 .164189 .33537 .12171 .01213 .01232 .01235 .01180 .00026 .00120 .00159 |
|
P .178044 .66662 .15062 .01057 .01002 .01247 .00924 -.00065 .00058 .00006 |
|
C 0 .2818 .25 .0136 .0134 .0137 .0138 0 .0031 0 |
|
O1p .21612 .76680 .3030 .0160 .0148 .0212 .0118 -.0046 -.0005 -.0024 |
|
O2p .22778 .55013 .0690 .0154 .0125 .0145 .0195 .0006 .0028 -.0010 |
|
O3p .12142 .58406 .2629 .0148 .0111 .0188 .0146 -.0018 .0020 .0023 |
|
O4p .14517 .74825 -.0352 .0150 .0175 .0159 .0115 -.0002 -.0019 .0018 |
|
O1c 0 .14635 .25 .0238 .0209 .0124 .0390 0 .0109 0 |
|
O2c .02937 .35493 .1068 .0157 .0161 .0184 .0128 -.0023 .0025 .0017 |
|
Oh .13476 .07351 .1247 .0131 .0122 .0152 .0119 .0013 .0011 -.0016 |
|
Ow1 .000 .850 .201 .25 .033 .063 .008 .028 .005 -.011 -.008 |
|
Ow2 .0110 .848 .216 .25 .030 .046 .027 .016 .001 .009 .001 |
|
Hh .0928 .082 .134 .002 |
|
Hw1 0 .924 .25 .018 |
|
Hw2 .002 .851 .066 .5 .018 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Burbankite |
|
Onac B P, Bernhardt H J, Effenberger H |
| |
European Journal of Mineralogy 21 (2009) 507-514 |
|
Authigenic burbankite in the Cioclovina Cave sediments (Romania) |
|
Locality: Cioclovina Cave sediments, Romania |
|
_database_code_amcsd 0007286 |
|
10.514 10.514 6.477 90 90 120 P6_3mc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaA .52343 -.52343 .3128 .82 .0222 .0190 .0190 .0273 .0085 .0002 -.0002 |
|
CaA .52343 -.52343 .3128 .17 .0222 .0190 .0190 .0273 .0085 .0002 -.0002 |
|
SrB .84125 -.84125 0 .57 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
|
CaB .84125 -.84125 0 .16 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
|
BaB .84125 -.84125 0 .11 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
|
YB .84125 -.84125 0 .03 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
|
CeB .84125 -.84125 0 .05 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
|
LaB .84125 -.84125 0 .02 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
|
NdB .84125 -.84125 0 .02 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
|
PrB .84125 -.84125 0 .01 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
|
ThB .84125 -.84125 0 .03 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
|
C1 .7999 -.7999 .5372 .0151 .0144 .0144 .017 .0071 .0015 -.0015 |
|
C2 0 0 .8313 .0172 .017 .017 .017 .0085 0 0 |
|
C3 1/3 2/3 .490 .0177 .019 .019 .014 .0097 0 0 |
|
O1 .3749 .0815 .6308 .0240 .0224 .0179 .0312 .0096 -.0024 .0047 |
|
O2 .9304 -.9304 .3353 .0316 .0250 .0250 .053 .019 .0006 -.0006 |
|
O3 .40439 -.40439 .4864 .0242 .0296 .0296 .0214 .0208 .0006 -.0006 |
|
O4 .7756 -.7756 .3533 .0245 .0240 .0240 .0251 .0117 -.0019 .0019 |
|
|
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|
| |
|
Teepleite |
|
Effenberger H |
 |
Acta Crystallographica B38 (1982) 82-85 |
|
Verfeinerung der kristallstruktur von synthetischem teepleit |
|
Locality: synthetic |
|
_database_code_amcsd 0009750 |
|
7.260 7.260 4.847 90 90 90 *P4/nmm |
|
.25 -.25 0 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na 0 0 .5 1.26 .0060 .0060 .0133 -.0009 -.0004 -.0004 |
|
Cl .25 .25 .7331 1.06 .0045 .0045 .0134 0 0 0 |
|
B .75 .25 0 .77 .0038 .0038 .0076 0 0 0 |
|
O .25 -.0881 .1857 1.05 .0065 .0038 .0104 0 0 0 |
|
H .25 .006 .072 .5 |
|
|
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|
| |
|
Pb2AsO2OHCl2 |
| |
Effenberger H, Miletich R, Pertlik F |
|
Acta Crystallographica C46 (1990) 541-543 |
|
Structure of dilead(II) hydrogenarsenate(III) dichloride |
|
_database_code_amcsd 0010122 |
|
6.410 5.525 9.293 90 90.69 90 P2_1/m |
|
atom x y z Uiso |
|
Pb1 .28878 .25 .44178 .0195 |
|
Pb2 .52952 .25 .83910 .0235 |
|
As .7734 .25 .3127 .0167 |
|
O1 .7415 .25 .1210 .036 |
|
O2 .5955 .0144 .3519 .019 |
|
Cl1 .2403 .25 .0987 .031 |
|
Cl2 .8862 .25 .6587 .026 |
|
|
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|
| |
|
Cu2P2O7 |
| |
Effenberger H |
|
Acta Crystallographica C46 (1990) 691-692 |
|
Structural refinement of low-temperature copper(II) pyrophosphate |
|
_database_code_amcsd 0010124 |
|
6.895 8.113 9.164 90 109.62 90 C2/c |
|
atom x y z Uiso |
|
Cu -.01814 .31288 .50706 .0103 |
|
P .19754 .00750 .20566 .0075 |
|
O1 0 .0466 .25 .0260 |
|
O2 .3757 .0002 .3614 .0093 |
|
O3c .2208 .1559 .1128 .0112 |
|
O3t .1785 -.1508 .1179 .0162 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Zabuyelite |
|
Effenberger H, Zemann J |
|
Zeitschrift fur Kristallographie 150 (1979) 133-138 |
|
Verfeinerung der kristallstruktur des lithiumkarbonates, Li2CO3 |
|
_database_code_amcsd 0010813 |
|
8.3593 4.9725 6.1975 90 114.83 90 C2/c |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Li .1965 .4484 .8344 .0053 .0139 .0111 .0007 .0034 .0011 |
|
C 0 .0657 .25 .0035 .0094 .0051 0 .0019 0 |
|
O1 0 .3213 .25 .0047 .0060 .0194 0 .0037 0 |
|
O2 .1459 -.0635 .3127 .0037 .0097 .0102 .0016 .0024 .0010 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Rouaite |
|
Effenberger H |
|
Zeitschrift fur Kristallographie 165 (1983) 127-135 |
|
Verfeinerung der kristallstruktur des monoklinen |
|
dikupfer(II)-trihydroxi-nitrates Cu2(NO3)(OH)3 |
|
Locality: synthetic |
|
_database_code_amcsd 0010858 |
|
5.605 6.087 6.929 90 94.48 90 P2_1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu2+1 -.0015 0 .9945 .87 .0055 .0059 .0056 .0006 .0012 .0013 |
|
Cu2+2 .5091 .2483 -.0024 .83 .0058 .0042 .0060 -.0008 .0008 .0002 |
|
N .231 .259 .408 2.00 .019 .018 .005 -.002 .002 -.003 |
|
O4 .207 .251 .223 1.40 .016 .008 .005 -.002 .002 .001 |
|
O5 .387 .157 .496 4.01 .026 .049 .008 .008 -.002 .007 |
|
O6 -.097 -.112 -.492 3.78 .037 .033 .010 -.012 .008 .004 |
|
O1 .869 .252 .857 1.06 .008 .007 .007 .002 .002 .005 |
|
O2 .313 .013 .879 .83 .009 .005 .003 -.009 .000 .003 |
|
O3 -.313 .002 -.881 .89 .005 .009 .004 .008 .001 -.004 |
|
H1 .89 .29 .76 1 |
|
H2 .31 .03 .78 1 |
|
H3 -.28 .01 -.77 1 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Kotoite |
|
Effenberger H, Pertlik F |
|
Zeitschrift fur Kristallographie 166 (1984) 129-140 |
|
Verfeinerung der kristallstrukturen der isotypen verbindungen |
|
M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit) |
|
Locality: synthetic |
|
_database_code_amcsd 0010864 |
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5.398 8.416 4.497 90 90 90 Pnmn |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
MgM1 0 0 0 .50 .0033 .0019 .0072 0 .0009 0 |
|
MgM2 0 .3128 .5 .46 .0038 .0013 .0071 0 .0004 0 |
|
B .2546 0 .5453 .42 .0005 .0019 .0081 0 -.0019 0 |
|
O1 .3222 0 .2502 .41 .0026 .0013 .0067 0 -.0007 0 |
|
O2 .2045 .1387 .7029 .48 .0041 .0012 .0080 .0001 .0005 -.0002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Jimboite |
|
Effenberger H, Pertlik F |
|
Zeitschrift fur Kristallographie 166 (1984) 129-140 |
|
Verfeinerung der kristallstrukturen der isotypen verbindungen |
|
M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit) |
|
Locality: synthetic |
|
_database_code_amcsd 0010865 |
|
5.658 8.740 4.646 90 90 90 Pnmn |
|
atom x y z Biso |
|
MnM1 0 0 0 .58 |
|
MnM2 0 .31153 .5 .55 |
|
B .2551 0 .5430 .63 |
|
O1 .3180 0 .2529 .65 |
|
O2 .2099 .1349 .6919 .72 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Co3(BO3)2 |
| |
Effenberger H, Pertlik F |
|
Zeitschrift fur Kristallographie 166 (1984) 129-140 |
|
Verfeinerung der kristallstrukturen der isotypen verbindungen |
|
M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit) |
|
_database_code_amcsd 0010866 |
|
5.462 8.436 4.529 90 90 90 Pnmn |
|
atom x y z Biso |
|
CoM1 0 0 0 .71 |
|
CoM2 0 .31359 .5 .70 |
|
B .2554 0 .5417 .70 |
|
O1 .3193 0 .2480 .79 |
|
O2 .2072 .1385 .6975 .83 |
|
|
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|
| |
|
Ni3(BO3)2 |
| |
Effenberger H, Pertlik F |
|
Zeitschrift fur Kristallographie 166 (1984) 129-140 |
|
Verfeinerung der kristallstrukturen der isotypen verbindungen |
|
M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit) |
|
_database_code_amcsd 0010867 |
|
5.396 8.297 4.459 90 90 90 Pnmn |
|
atom x y z Biso |
|
NiM1 0 0 0 .37 |
|
NiM2 0 .31572 .5 .38 |
|
B .2551 0 .5439 .30 |
|
O1 .3243 0 .2489 .23 |
|
O2 .2011 .1399 .7012 .50 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Norsethite |
|
Effenberger H, Zemann J |
|
Zeitschrift fur Kristallographie 171 (1985) 275-280 |
|
Single crystal X-Ray investigation of norsethite, BaMg(CO3)2: |
|
one more mineral with an aplanar carbonate group |
|
Locality: synthetic |
|
Sample: Model 1 |
|
_database_code_amcsd 0010924 |
|
5.022 5.022 16.770 90 90 120 R-3m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba 0 0 0 .0113 .0113 .0158 .00565 0 0 |
|
Mg 0 0 .5 .0096 .0096 .013 .0048 0 0 |
|
C 0 0 .2391 .0108 .0108 .013 .0054 0 0 |
|
O .1463 -.1463 .2420 .043 .043 .024 .039 .002 -.002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Norsethite |
|
Effenberger H, Zemann J |
|
Zeitschrift fur Kristallographie 171 (1985) 275-280 |
|
Single crystal X-Ray investigation of norsethite, BaMg(CO3)2: |
|
one more mineral with an aplanar carbonate group |
|
Locality: synthetic |
|
Sample: Model 2 |
|
_database_code_amcsd 0010925 |
|
5.022 5.022 16.770 90 90 120 R32 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba 0 0 0 .0113 .0113 .0158 .00565 0 0 |
|
Mg 0 0 .5 .0095 .0095 .013 .00475 0 0 |
|
C 0 0 .2392 .0110 .0110 .012 .0055 0 0 |
|
O .164 -.129 .2416 .035 .042 .025 .033 -.010 -.014 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Norsethite |
|
Effenberger H, Zemann J |
|
Zeitschrift fur Kristallographie 171 (1985) 275-280 |
|
Single crystal X-Ray investigation of norsethite, BaMg(CO3)2: |
|
one more mineral with an aplanar carbonate group |
|
Locality: synthetic |
|
Sample: Model 3 |
|
_database_code_amcsd 0010926 |
|
5.022 5.022 16.770 90 90 120 R-3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba 0 0 0 .0113 .0113 .0159 .00565 0 0 |
|
Mg 0 0 .5 .0095 .0095 .014 .00475 0 0 |
|
C 0 0 .2392 .0109 .0109 .013 .0054 0 0 |
|
O .174 -.118 .2416 .5 .025 .029 .025 .022 -.005 -.008 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Buckhornite |
|
Effenberger H, Culetto F J, Topa D, Paar W H |
|
Zeitschrift fur Kristallographie 215 (2000) 10-16 |
|
The crystal structure of synthetic buckhornite, [Pb2BiS3][AuTe2] |
|
Locality: synthetic |
|
_database_code_amcsd 0011084 |
|
4.108 12.308 9.331 90 90 90 *Pmmn |
|
-.25 -.25 0 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Au .25 .25 -.0045 .0201 .0157 .0195 .0253 0 0 0 |
|
PbMe1 .25 .07838 .3166 2/3 .0314 .0286 .0277 .0377 0 0 .0017 |
|
BiMe1 .25 .07838 .3166 1/3 .0314 .0286 .0277 .0377 0 0 .0017 |
|
PbMe2 .75 .25 .6482 2/3 .0283 .0268 .0266 .0315 0 0 0 |
|
BiMe2 .75 .25 .6482 1/3 .0283 .0268 .0266 .0315 0 0 0 |
|
Te .75 .1071 -.0075 .0217 .0180 .0221 .0250 0 0 .0002 |
|
S1 .75 .25 .3654 .022 .022 .017 .027 0 0 0 |
|
S2 .75 .9123 .3835 .020 .014 .019 .025 0 0 .002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Finnemanite |
|
Effenberger H, Pertlik F |
| |
Anzeiger der Osterreichische Akademie der Wissenschaften 114 (1977) 209-211 |
|
Der strukturtyp von finnemanit, Pb5Cl(AsO3)3 |
|
Locality: Langban, Varmland, Sweden |
|
_database_code_amcsd 0012024 |
|
10.322 10.322 7.054 90 90 120 P6_3/m |
|
atom x y z Biso |
|
Pb1 1/3 2/3 .9898 1.78 |
|
Pb2 .2644 .0363 .25 1.09 |
|
Cl 0 0 0 .94 |
|
As .4136 .4007 .25 .87 |
|
O1 .620 .468 .25 .87 |
|
O2 .368 .278 .063 1.11 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Adelite |
|
Effenberger H, Krause W, Bernhardt H J |
| |
Experimental Mineralogy, Petrology and Geochemistry Abstract Volume 9 (2002) 30-30 |
|
Structural investigations of adelite and cobaltaustinite, two members of the |
|
adelite-descloizite group |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0012643 |
|
7.468 8.953 5.941 90 90 90 P2_12_12_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) |
|
Ca .63323 .66993 .47737 .00937 .01038 .00669 .01104 -.00049 .00086 -.00012 |
|
Mg .24093 .50504 .24576 .00610 .0074 .0065 .0045 .0006 .0005 -.0007 |
|
As .61594 .31858 .51671 .9312 .00533 .00567 .00523 .00509 .00064 -.00002 -.00013 |
|
P .61594 .31858 .51671 .0688 .00533 .00567 .00523 .00509 .00064 -.00002 -.00013 |
|
O1 .43758 .43594 .4901 .0096 .0090 .0104 .0094 .0034 -.0002 .0005 |
|
O2 .78376 .43523 .5872 .0135 .0113 .0131 .0161 -.0032 -.0024 -.0001 |
|
O3 .35447 .72683 .2293 .0105 .0130 .0105 .0081 -.0018 -.0001 .0009 |
|
O4 .39884 .70196 .7603 .0112 .0146 .0103 .0087 -.0032 .0013 -.0023 |
|
O5 .10657 .57687 .5059 .0096 .0086 .0109 .0092 -.0004 .0014 .0003 |
|
H .009 .529 .513 .032 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Piypite |
|
Effenberger H, Zemann J |
|
Mineralogical Magazine 48 (1984) 541-546 |
|
The crystal structure of caratiite |
|
Locality: Mount Vesuvius, Naples, Italy |
|
_database_code_amcsd 0014478 |
|
13.60 13.60 4.98 90 90 90 I4 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K .1905 .1279 -.0379 1.92 .0019 .0030 .0222 .0002 .0005 .0015 |
|
Cu2+ .05627 .40789 0 1.12 .0015 .0015 .0116 .0002 -.0001 .0003 |
|
O 0 .5 .7572 1.11 .0017 .0016 .0093 -.0001 0 0 |
|
S .4426 .2347 -.0179 1.14 .0019 .0012 .0118 .0002 -.0003 .0008 |
|
O1 .4230 .2103 .2705 1.99 .0044 .0019 .0133 .0005 .0005 .0003 |
|
O2 .3807 .1706 -.1884 2.12 .0018 .0036 .0246 -.0001 .0005 -.0040 |
|
O3 .5456 .2157 -.0778 2.03 .0018 .0018 .0354 .0001 .0004 .0008 |
|
O4 .4158 .3369 -.0531 2.52 .0041 .0015 .0346 .0011 .0004 .0025 |
|
Cu1+Me 0 0 .4482 .5 2.85 .0045 .0045 .0188 0 0 0 |
|
Cl 0 0 -.0513 3.15 .0026 .0026 .0579 0 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Rappoldite |
| |
Effenberger H, Krause W, Bernhardt H J, Martin M |
|
Mineralogical Magazine 64 (2000) 1109-1126 |
|
On the symmetry of tsumcorite group minerals based on the new species |
|
rappoldite and zincgartrellite |
|
Locality: Rappold mine, near Schneeberg, Saxony, Germany |
|
_database_code_amcsd 0014555 |
|
5.595 5.572 7.593 70.19 70.41 69.23 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) |
|
PbMe1 0 0 0 .0340 .0426 .0300 .0257 -.0031 -.0084 -.0099 |
|
CoMe2a 0 .5 .5 .5 .0210 .0243 .0169 .0245 .0000 -.0089 -.0112 |
|
NiMe2a 0 .5 .5 .32 .0210 .0243 .0169 .0245 .0000 -.0089 -.0112 |
|
ZnMe2a 0 .5 .5 .18 .0210 .0243 .0169 .0245 .0000 -.0089 -.0112 |
|
CoMe2b .5 0 .5 .5 .0201 .0210 .0163 .0250 .0004 -.0086 -.0103 |
|
NiMe2b .5 0 .5 .32 .0201 .0210 .0163 .0250 .0004 -.0086 -.0103 |
|
ZnMe2b .5 0 .5 .18 .0201 .0210 .0163 .0250 .0004 -.0086 -.0103 |
|
As .4241 .4220 .7751 .0203 .0252 .0184 .023 -.0050 -.0087 -.0100 |
|
Wat1 .1575 .1556 .4045 .033 .022 .024 .065 .004 -.027 -.018 |
|
O2 .3119 .3126 .6446 .023 .024 .018 .035 -.004 -.014 -.012 |
|
O3a .2472 .6843 .2611 .030 .027 .031 .040 -.015 -.019 .000 |
|
O3b .6820 .2456 .2608 .027 .031 .016 .039 -.009 .003 -.021 |
|
O4 .2838 .2803 .0056 .054 .071 .079 .021 -.040 -.002 -.010 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Zincgartrellite |
|
Effenberger H, Krause W, Bernhardt H J, Martin M |
|
Mineralogical Magazine 64 (2000) 1109-1126 |
|
On the symmetry of tsumcorite group minerals |
|
based on the new species rappoldite and zincgartrellite |
|
Locality: Tsumeb, Namibia |
|
_database_code_amcsd 0014556 |
|
5.550 5.620 7.621 68.59 69.17 69.51 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 0 0 0 .0479 .061 .045 .033 -.014 -.020 .003 |
|
Zn2a 0 .5 .5 .6 .040 .033 .044 .029 -.009 -.009 .006 |
|
Fe3+2a 0 .5 .5 .4 .040 .033 .044 .029 -.009 -.009 .006 |
|
Zn2b .5 0 .5 .6 .034 .047 .026 .026 -.016 -.016 .008 |
|
Cu2b .5 0 .5 .4 .034 .047 .026 .026 -.016 -.016 .008 |
|
As .4125 .4266 .7853 .032 .037 .034 .023 -.010 -.015 .005 |
|
O2 .306 .321 .648 .052 |
|
O3a .255 .679 .258 .044 |
|
O3b .691 .238 .251 .049 |
|
O4 .273 .289 .020 .037 |
|
OH1 .163 .166 .420 .2 .034 |
|
Wat1 .163 .166 .420 .8 .034 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Linarite |
|
Effenberger H |
| |
Mineralogy and Petrology 36 (1987) 3-12 |
|
Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4), |
|
with a comparison to linarite PbCu(OH)2(SO4) |
|
Locality: Leadhills, Scotland |
|
_database_code_amcsd 0014611 |
|
9.701 5.650 4.690 90 102.65 90 P2_1/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .34201 .25 .32838 .0122 .0222 .0195 0 -.0019 0 |
|
Cu 0 0 0 .0136 .0083 .0106 -.0011 .0011 .0001 |
|
S .3319 .75 .8845 .0094 .0133 .0110 0 .001 0 |
|
O1 .4754 .75 .0656 .011 .022 .019 0 -.002 0 |
|
O2 .3347 .75 .5693 .023 .045 .011 0 .002 0 |
|
O3 .2531 .5355 .9426 .014 .015 .028 -.003 .003 .002 |
|
OH4 .0342 .75 .2864 .014 .010 .014 0 .002 0 |
|
OH5 .0952 .25 .2667 .010 .011 .012 0 .001 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Schmiederite |
|
Effenberger H |
| |
Mineralogy and Petrology 36 (1987) 3-12 |
|
Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4), |
|
with a comparison to linarite PbCu(OH)2(SO4) |
|
Locality: synthetic |
|
_database_code_amcsd 0014612 |
|
9.922 5.712 9.396 90 101.96 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) |
|
Pb1 .3120 .25 .4111 0 .0171 .0211 .0243 0 .0011 0 |
|
Pb2 .3280 .25 .9668 0 .0161 .0330 .0529 0 .0010 0 |
|
Cu -.0100 -.0007 .2438 0 .022 .013 .012 -.002 .002 .000 |
|
Se1 .3500 .75 .2093 0 .017 .018 .020 0 .007 0 |
|
Se2 .3347 .75 .6890 0 .011 .019 .016 0 .002 0 |
|
O11 .365 .75 .034 .042 |
|
O12 .246 .514 .210 .018 |
|
O21 .500 .75 .755 .031 |
|
O22 .316 .75 .506 .028 |
|
O23 .264 .989 .732 .025 |
|
OH1 .034 .75 .388 .007 |
|
OH2 .077 .25 .378 .011 |
|
OH3 .052 .75 .899 .009 |
|
OH4 .089 .25 .893 .012 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nickenichite |
|
Auernhammer M, Effenberger H, Hentschel G, Reinecke T, Tillmanns E |
| |
Mineralogy and Petrology 48 (1993) 153-166 |
|
Nickenichite, a new arsenate from the Eifel, Germany |
|
Locality: Nickenich, Nickenicher Sattel, Eifel, Germany |
|
_database_code_amcsd 0014632 |
|
11.882 12.760 6.647 90 112.81 90 C2/c |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na 0 .9922 .25 .76 2.34 .018 .034 .030 0 .001 0 |
|
Ca 0 .5 0 .41 2.77 .041 .010 .033 -.003 -.010 .001 |
|
Cu 0 .5026 .25 .39 1.33 .014 .005 .030 0 .007 0 |
|
MgMe1 0 .2616 .25 .89 1.74 .028 .016 .022 0 .009 0 |
|
FeMe1 0 .2616 .25 .11 1.74 .028 .016 .022 0 .009 0 |
|
MgMe2 .2143 .1558 .1244 .78 1.01 .0162 .0091 .0147 .0005 .0078 .0013 |
|
FeMe2 .2143 .1558 .1244 .22 1.01 .0162 .0091 .0147 .0005 .0078 .0013 |
|
As1 0 .71180 .25 .99 .0166 .0073 .0128 0 .0045 0 |
|
As2 .26733 .38706 .3757 1.00 .0164 .0081 .0139 -.0003 .0063 -.0003 |
|
O11 .8915 .6232 .2381 1.56 .019 .013 .027 -.005 .008 .003 |
|
O12 -.0386 .7840 .0200 1.21 .011 .024 .011 -.003 .004 .006 |
|
O21 .1169 .3933 .3150 1.28 .015 .012 .025 .000 .011 -.005 |
|
O22 .2838 .3141 .1785 1.05 .019 .010 .012 -.001 .007 -.004 |
|
O23 .3325 .5042 .3887 1.42 .018 .014 .022 -.004 .009 .000 |
|
O24 .3397 .3294 .6189 1.15 .020 .012 .011 .001 .005 .003 |
|
|
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|
| |
|
Brendelite |
|
Krause W, Bernhardt H J, McCammon C, Effenberger H |
| |
Mineralogy and Petrology 63 (1998) 263-277 |
|
Brendelite, (Bi,Pb)2Fe3+,2+O2(OH)(PO4), a new mineral from |
|
Schneeberg, Germany: description and crystal structure |
|
Locality: Schneeberg, Germany |
|
_database_code_amcsd 0014642 |
|
12.278 3.815 6.899 90 111.14 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) |
|
Bi .76119 0 .22804 .5 .0255 .0231 .0216 .0326 0 .0111 0 |
|
Pb .76119 0 .22804 .5 .0255 .0231 .0216 .0326 0 .0111 0 |
|
Fe 0 0 0 .0171 .0152 .0143 .0221 0 .0072 0 |
|
P .5285 0 .3942 .5 .020 .017 .025 .014 0 .002 0 |
|
Oo .1699 0 .0197 .024 .025 .018 .033 0 .017 0 |
|
OH .5255 0 .1044 .5 .017 .026 .014 .009 0 .003 0 |
|
Op1 .3993 0 .3567 .023 .011 .032 .023 0 .003 0 |
|
Op2 .5638 .332 .3020 .5 .026 .028 .027 .028 .003 .016 .007 |
|
|
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|
| |
|
Dolerophanite |
|
Effenberger H |
| |
Monatshefte fur Chemie 116 (1985) 927-931 |
|
Cu2O(SO4), dolerophanite: Refinement of the crystal structure with |
|
a comparison of [OCu(II)4] tetrahedra in inorganic compounds |
|
Locality: synthetic |
|
_database_code_amcsd 0014667 |
|
9.370 6.319 7.639 90 122.34 90 C2/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 .25 .25 0 .009 .0055 .0106 .0138 -.0009 .0025 .0023 |
|
Cu2 .0721 0 .2182 .010 .0050 .0175 .0088 0 .0002 0 |
|
S .1024 .5 .3157 .008 .0060 .0101 .0099 0 .0016 0 |
|
O1 .2038 .5 .2232 .019 .022 .028 .025 0 .017 0 |
|
O2 .2947 0 .4593 .014 .008 .024 .009 0 -.003 0 |
|
O3 .1514 0 .0217 .008 .004 .009 .010 0 .001 0 |
|
O4 .4916 .1906 .2498 .012 .008 .010 .018 .001 .000 .002 |
|
|
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|
| |
|
Benstonite |
|
Effenberger H |
| |
Neues Jahrbuch fur Mineralogie, Abhandlungen 136 (1979) 326-337 |
|
Kristallstruktur und chemische formel des benstonits, Ba6Ca6Mg(CO3)13 |
|
_database_code_amcsd 0014709 |
|
18.280 18.280 8.652 90 90 120 R-3 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .0533 0.1778 .3007 .0091 .0104 .0148 .0059 .0008 .0006 |
|
Ca .3319 0.0860 .0238 .0050 .0052 .0067 .0030 .0012 .0010 |
|
Mg 0 0 0 .007 |
|
O1 .4820 0.4856 .1724 .019 |
|
O2 .3798 0.3543 .1180 .013 |
|
O3 .3525 0.4613 .1185 .015 |
|
O4 .2393 0.1124 .1817 .010 |
|
O5 .1039 0.0689 .1414 .027 |
|
O6 .1993 0.2036 .1101 .020 |
|
O7 .0789 0.0549 .4749 .5 .018 |
|
C1 .4058 0.4334 .1398 .009 |
|
C2 .1797 0.1288 .1376 .008 |
|
C3 0 0 .4785 .5 .017 |
|
|
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|
| |
|
Paralstonite |
|
Effenberger H |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1980 (1980) 353-363 |
|
Die kristallstruktur des minerals paralstonite, BaCa(CO3)2 |
|
Locality: Cave-in-Rock District, Illinois, USA |
|
_database_code_amcsd 0014766 |
|
8.692 8.692 6.148 90 90 120 P321 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba .6870 0 0 .77 .0049 .0037 .0054 .0037 .00005 .0001 |
|
Ca .3586 0 .5 .38 .0031 .0007 .0012 .0007 -.00005 -.0001 |
|
C1 1/3 2/3 .356 1.5 |
|
C2 1/3 2/3 .817 1.8 |
|
C3 0 0 .267 .3 |
|
O1 .191 .677 .355 2.0 |
|
O2 .173 .517 .822 2.3 |
|
O3 .150 .001 .255 1.2 |
|
|
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|
| |
|
Ralstonite |
|
Effenberger H, Kluger F |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 97-108 |
|
Ralstonite: a contribution to the knowledge of composition and crystal structure |
|
Locality: Ivigtut, Greenland |
|
_database_code_amcsd 0014784 |
|
9.91 9.91 9.91 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al 0 0 0 .774 .49 .0013 .0013 .0013 -.0004 -.0004 -.0004 |
|
Mg 0 0 0 .226 .49 .0013 .0013 .0013 -.0004 -.0004 -.0004 |
|
Na .5 .5 .5 .205 2.42 .0062 .0062 .0062 -.0022 -.0022 -.0022 |
|
F .3138 .125 .125 .763 1.06 .0025 .0029 .0029 0 0 .0007 |
|
OH .3138 .125 .125 .237 1.06 .0025 .0029 .0029 0 0 .0007 |
|
Ow .375 .375 .375 .836 4.09 .0105 .0105 .0105 0 0 0 |
|
H .33 .33 .33 .418 1.00 |
|
|
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|
| |
|
Likasite |
|
Effenberger H |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 101-110 |
|
Likasite, Cu3(OH)5(NO3)*2(H2O): Revision of the chemical formula and |
|
redetermination of the crystal structure |
|
Locality: Likasi Mine, Zaire |
|
_database_code_amcsd 0014798 |
|
5.830 6.775 21.711 90 90 90 Pcmn |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .8224 .25 .1055 .003 .011 .023 0 -.001 0 |
|
Cu2 .3284 .25 .1003 .003 .010 .024 0 -.003 0 |
|
Cu3 0 0 0 .016 .014 .021 .002 -.004 -.001 |
|
N .080 .25 .242 .038 .012 .023 0 -.001 0 |
|
O1 .261 .25 .210 .012 .046 .036 0 .001 0 |
|
O2 -.103 .25 .214 .014 .048 .028 0 -.006 0 |
|
O3 .088 .25 .299 .030 .013 .019 0 .001 0 |
|
OH1 .158 .75 .002 .004 .012 .027 0 -.008 0 |
|
OH2 .076 .060 .086 .017 .009 .018 -.004 -.005 .002 |
|
OH3 .573 .055 .109 .006 .011 .026 -.004 .001 .002 |
|
Wat1 .082 .75 .170 .029 .019 .026 0 .000 0 |
|
Wat2 .628 .75 .030 .035 .018 .043 0 -.005 0 |
|
|
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|
| |
|
Nordenskioldine |
|
Effenberger H, Zemann J |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 111-114 |
|
The detailed crystal structure of nordenskioeldine, CaSn(BO3)2 |
|
Locality: Stiepelman mine, SW Africa |
|
_database_code_amcsd 0014799 |
|
4.858 4.858 16.0800 90 90 120 R-3 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 0 0 .0067 .0067 .0061 .00335 0 0 |
|
Sn 0 0 .5 .0034 .0034 .0046 .0017 0 0 |
|
B 0 0 .2395 .0050 .0050 .0059 .0025 0 0 |
|
O .2663 -.0313 .2417 .0059 .0073 .0091 .0044 -.0013 -.0032 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ramsbeckite |
|
Effenberger H |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 38-48 |
|
Ramsbeckite, (Cu,Zn)15(OH)22(SO4)4*6(H2O): |
|
Revision of the chemical formula based on a structure determination |
|
Locality: Bastenberg mine, Ramsbeck, Sauerland, Germany |
|
_database_code_amcsd 0014821 |
|
16.088 15.576 7.102 90 90.22 90 P2_1/a |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 0 0 0 .014 .016 .012 .014 .009 .001 .005 |
|
Zn2 .6636 .0027 .0288 .019 .015 .023 .017 -.004 .001 .011 |
|
Cu3 .1720 .1055 -.0040 .012 .014 .008 .014 -.007 -.003 .008 |
|
Cu4 .5036 .1036 .0004 .017 .014 .018 .019 -.005 .000 .001 |
|
Cu5 .8393 .0933 -.0021 .011 .014 .001 .018 .006 .001 .007 |
|
Cu6 .3467 .2055 -.0079 .013 .017 .008 .015 -.011 .001 -.001 |
|
Cu7 .6763 .2012 .0059 .019 .016 .022 .018 .013 -.001 -.002 |
|
Zn8 .0070 .1965 .7662 .015 .015 .017 .013 .001 -.001 .001 |
|
S1 .2915 .0989 .5740 .016 .022 .017 .009 -.005 -.001 .000 |
|
S2 .0124 .1943 .2769 .017 .022 .020 .011 -.001 -.001 -.003 |
|
OH1 .1071 .0062 -.1202 .013 |
|
OH2 .2325 .0106 .1200 .009 |
|
OH3 .4456 -.0123 -.1580 .021 |
|
OH4 .3930 .1017 .1148 .019 |
|
OH5 .6119 .1155 -.1135 .015 |
|
OH6 .7340 .1088 .1505 .024 |
|
OH7 .9469 .0876 -.1665 .014 |
|
OH8 .1256 .1967 -.1637 .019 |
|
OH9 .2357 .1953 .1175 .013 |
|
OH10 .4521 .1974 -.1697 .017 |
|
OH11 .8025 .1993 -.1319 .014 |
|
Os11 .3742 .1253 .5150 .028 |
|
Os12 .2284 .1622 .5083 .025 |
|
Os13 .2708 .0115 .4983 .028 |
|
Os14 .2892 .0957 .7826 .016 |
|
Os21 -.0740 .1993 .2045 .031 |
|
Os22 .0542 .1201 .2060 .024 |
|
Os23 .0586 .2738 .2160 .039 |
|
Os24 .0087 .1889 .4824 .035 |
|
Wat1 .0992 -.0035 .4931 .020 |
|
Wat2 .6025 .1113 .5107 .051 |
|
Wat3 .3055 .3239 .4888 .026 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Hechtsbergite |
|
Krause W, Bernhardt H J, Blass G, Effenberger H, Graf H W |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1997 (1997) 271-287 |
|
Hechtsbergite, Bi2O(OH)(VO4), a new mineral from the Black Forest, Germany |
|
Locality: Hechtsberg quarry, Hausach, Black Forest, Germany |
|
_database_code_amcsd 0014896 |
|
6.971 7.535 10.881 90 107.00 90 P2_1/c |
|
atom x y z occ Biso |
|
Bi1 .2513 .4139 .4769 1.7 |
|
Bi2 .3899 .8375 .6563 .8 |
|
V .113 .570 .832 .97 1.0 |
|
As .113 .570 .832 .03 1.0 |
|
O1 .494 .603 .586 1.0 |
|
OH2 .329 .237 .668 1.0 |
|
O3 .167 .619 .691 1.0 |
|
O4 .123 .720 .928 1.0 |
|
O5 .327 .419 .911 1.0 |
|
O6 -.129 .490 .768 1.0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Schaferite |
| |
Krause W, Blass G, Effenberger H |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1999 (1999) 123-124 |
|
Schaferite, a new vanadium garnet from the Bellberg volcano, Eifel, Germany |
|
Locality: Bellberg volcano, Eifel, Germany |
|
_database_code_amcsd 0014899 |
|
12.422 12.422 12.422 90 90 90 Ia-3d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .125 0 .25 .233 .0144 .0118 .0156 .0156 0 0 .0017 |
|
Ca .125 0 .25 .767 .0144 .0118 .0156 .0156 0 0 .0017 |
|
Mg 0 0 0 .925 .0127 .0127 .0127 .0127 -.0007 -.0007 -.0007 |
|
Mn 0 0 0 .075 .0127 .0127 .0127 .0127 -.0007 -.0007 -.0007 |
|
V .375 0 .25 .94 .0091 .0085 .0093 .0093 0 0 0 |
|
P .375 0 .25 .06 .0091 .0085 .0093 .0093 0 0 0 |
|
O .03837 .05130 .65515 .0118 .0120 .0127 .0106 -.0006 -.0003 .0004 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cobaltlotharmeyerite |
| |
Krause W, Effenberger H, Bernhardt H J, Martin M |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1999 (1999) 505-517 |
|
Cobaltlotharmeyerite, Ca(Co,Fe,Ni)2(AsO4)2(OH,H2O)2, a new mineral from |
|
Schneeberg, Germany |
|
Locality: Schneeberg, Saxony, Germany |
|
_database_code_amcsd 0014902 |
|
9.027 6.239 7.433 90 115.19 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) |
|
CaMe1 0 0 0 .0173 .0246 .0143 .0150 0 .0104 0 |
|
CoMe2 .25 .25 .5 .485 .0173 .0111 .0095 .0109 -.0002 .0030 -.0003 |
|
FeMe2 .25 .25 .5 .335 .0111 .0111 .0095 .0109 -.0002 .0030 -.0003 |
|
NiMe2 .25 .25 .5 .18 .0111 .0111 .0095 .0109 -.0002 .0030 -.0003 |
|
As .91839 .5 .21166 .0113 .0105 .0108 .0124 0 .0048 0 |
|
O2 .3213 0 .3651 .0158 .019 .014 .018 0 .012 0 |
|
O3 .0342 .2782 .2449 .0143 .015 .011 .016 .001 .005 -.0015 |
|
O4 .2385 .5 .0136 .0258 .015 .043 .011 0 -.001 0 |
|
Oh1 .3440 .5 .4097 .0164 .016 .019 .013 0 .006 0 |
|
H2 .331 .5 .332 .02 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cobalttsumcorite |
| |
Krause W, Bernhardt H J, Effenberger H, Martin M |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 588-576 |
|
Cobalttsumcorite and nickellotharmeyerite, two new minerals from |
|
Schneeberg, Germany: description and crystal structure |
|
Locality: Schneeberg, Germany |
|
_database_code_amcsd 0014915 |
|
9.107 6.316 7.571 90 115.02 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 0 0 0 .0218 .0211 .0217 .0175 0 .0034 0 |
|
Co2 .25 .25 .5 .395 .0100 .0088 .0095 .0105 -.0002 .003 .0003 |
|
Fe2 .25 .25 .5 .365 .0100 .0088 .0095 .0105 -.0002 .003 .0003 |
|
Ni2 .25 .25 .5 .20 .0100 .0088 .0095 .0105 -.0002 .003 .0003 |
|
Zn2 .25 .25 .5 .02 .0100 .0088 .0095 .0105 -.0002 .003 .0003 |
|
Al2 .25 .25 .5 .02 .0100 .0088 .0095 .0105 -.0002 .003 .0003 |
|
As .91849 .5 .21755 .0093 .0077 .0106 .0100 0 .0041 0 |
|
O2 .3096 0 .3549 .0130 .010 .018 .013 0 .007 0 |
|
O3 .0351 .2795 .2656 .0124 .009 .009 .017 -.002 .004 .002 |
|
O4 .2219 .5 .0139 .0237 .013 .041 .013 0 .000 0 |
|
OH1 .3425 .5 .4076 .35 .0136 .009 .016 .018 0 .007 0 |
|
Wat1 .3425 .5 .4076 .75 .0136 .009 .016 .018 0 .007 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nickellotharmeyerite |
| |
Krause W, Bernhardt H J, Effenberger H, Martin M |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 588-576 |
|
Cobalttsumcorite and nickellotharmeyerite, two new minerals from |
|
Schneeberg, Germany: description and crystal structure |
|
Locality: Schneeberg, Germany |
|
_database_code_amcsd 0014916 |
|
9.040 6.229 7.397 90 115.32 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) |
|
Ca1 0 0 0 .969 .0226 .0256 .0197 .0251 0 .0132 0 |
|
Bi1 0 0 0 .031 .0226 .0256 .0197 .0251 0 .0132 0 |
|
Ni2 .25 .25 .5 .55 .0152 .0138 .0131 .0178 -.0001 .0057 -.0003 |
|
Fe2 .25 .25 .5 .35 .0152 .0138 .0131 .0178 -.0001 .0057 -.0003 |
|
Co2 .25 .25 .5 .10 .0152 .0138 .0131 .0178 -.0001 .0057 -.0003 |
|
As2 .91699 .5 .20906 .0147 .0122 .0146 .0175 0 .0065 0 |
|
O2 .3194 0 .3662 .0188 .021 .014 .027 0 .016 0 |
|
O3 .0354 .2785 .2469 .0174 .015 .017 .018 .0012 .0051 -.0011 |
|
O4 .2421 .5 .0181 .0256 .016 .035 .020 0 .003 0 |
|
OH1 .3436 .5 .4073 .5 .0174 .014 .016 .024 0 .010 0 |
|
Wat1 .3436 .5 .4073 .5 .0174 .014 .016 .024 0 .010 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Teineite |
|
Effenberger H |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 287-298 |
|
Verfeinerung der kristallstruktur von synthetischem teineit CuTeO3*2(H2O) |
|
Note: Synthetic sample. |
|
_database_code_amcsd 0015667 |
|
6.634 9.597 7.428 90 90 90 P2_12_12_1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu .5307 .1560 .2011 .81 .003238 .002226 .004758 -.001453 .000964 -.000912 |
|
Te .7106 .3895 .4738 .76 .003863 .001954 .004033 .000275 .000254 -.000035 |
|
O1 .2403 .2125 .7415 1.3 |
|
O2 .9792 .3808 .5434 .7 |
|
O3 .2763 .0648 .1333 .9 |
|
Wat4 .0647 .2887 .0501 1.4 |
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Wat5 .2873 .4477 .3299 1.3 |
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Finnemanite |
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Effenberger H, Pertlik F |
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Tschermaks Mineralogische und Petrographische Mitteilungen 26 (1979) 95-107 |
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Die kristallstruktur des finnemanits, Pb5Cl(AsO3)3, mit einem |
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vergleich zum strukturtyp des chlorapatits, Ca5Cl(PO4)3 |
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Locality: Langban, Varmland, Sweden |
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_database_code_amcsd 0015673 |
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10.322 10.322 7.054 90 90 120 P6_3/m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb1 1/3 2/3 .9899 .007102 .007102 .003969 .003567 0 0 |
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Pb2 .2646 .0363 .25 .002315 .003222 .007737 .001283 0 0 |
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Cl 0 0 0 .004568 .004568 .002763 .002284 0 0 |
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As .4139 .4008 .25 .002440 .003160 .006582 .001283 0 0 |
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O1 .617 .466 .25 1.4 |
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O2 .367 .277 .061 1.7 |
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Tunisite |
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Effenberger H, Kluger F, Pertlik F, Zemann J |
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Tschermaks Mineralogische und Petrographische Mitteilungen 28 (1981) 65-77 |
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Tunisit: kristallstruktur und revision der chemischen formel |
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_database_code_amcsd 0015681 |
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11.1983 11.1983 6.5637 90 90 90 *P4/nmm |
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.25 -.25 0 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na .25 .25 .93704 2.55 .00328 .00328 .02514 0 0 0 |
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Ca 0 0 0 2.56 .00579 .00579 .01065 .00464 -.00604 -.00604 |
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Al .40479 -.40479 .5 .52 .00097 .00097 .00342 .00000 -.00002 -.00002 |
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C .25 .51396 .15653 .67 .00126 .00135 .00398 0 0 .00022 |
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O_c3 .46093 .64970 .75908 .90 .00266 .00116 .00449 -.00014 -.00084 -.00009 |
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O_c4 .25 .46534 .98187 1.26 .00292 .00340 .00339 0 0 -.00142 |
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O_h1 .25 .90696 .59918 .74 .00123 .00221 .00274 0 0 -.00041 |
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O_h2 .43878 .43878 .60715 .77 .00118 .00118 .00645 -.00014 .00009 .00009 |
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H1 .25 .934 .720 .77 |
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H2 .391 .391 .577 2.21 |
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Cl .25 .25 .46863 2.46 .00201 .00201 .03084 0 0 0 |
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Machatschkiite |
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Effenberger H, Mereiter K, Pimminger M, Zemann J |
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Tschermaks Mineralogische und Petrographische Mitteilungen 30 (1982) 145-155 |
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Machatschkiite: Crystal structure and revision of the chemical formula |
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Locality: "Grube Anton" Heubachtal, Schiltach, Black Forest, Germany |
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_database_code_amcsd 0015688 |
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15.127 15.127 22.4710 90 90 120 R3c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 .8711 .3078 .6629 1.28 .00203 .00153 .00071 .00094 .00001 .00011 |
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Ca2 .5166 .7141 .8303 1.15 .00221 .00135 .00058 .00110 -.00004 -.00002 |
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As1 .5494 .9642 .876 .78 .00106 .00104 .00048 .00061 .00001 -.00011 |
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As2 1/3 2/3 .7053 .91 |
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PX 1/3 2/3 .9128 .60 |
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O11 .5911 .8790 .8732 1.4 |
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O12 .5231 .9885 .9443 1.2 |
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OH13 .6580 .0725 .8512 1.4 |
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O14 .4575 .9351 .8264 1.4 |
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O21 1/3 2/3 .6320 2.6 |
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O22 .4537 .7079 .7307 1.0 |
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O31 1/3 2/3 .8431 .90 |
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O32 .4265 .6614 .9308 1.4 |
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Wat1 .9315 .4898 .6548 1.5 |
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Wat2 .8963 .3733 .7649 2.5 |
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Wat3 .9676 .3690 .5700 1.4 |
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Wat4 .7173 .2146 .7219 1.8 |
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Wat5 .8683 .2916 .8892 1.9 |
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Mammothite |
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Effenberger H |
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Tschermaks Mineralogische und Petrographische Mitteilungen 34 (1985) 279-288 |
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The crystal structure of mammothite, Pb6Cu4AlSbO2(OH)16Cl4(SO4)2 |
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Locality: Mammoth vein, Tiger, Arizona, USA |
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_database_code_amcsd 0015702 |
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18.93 7.33 11.35 90 112.44 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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Pb1 .21037 0 .17947 .0179 .0186 .0232 .0159 0 .0051 0 |
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Pb2 .42277 .25855 .20296 .0189 .0226 .0173 .0216 -.0022 .0064 -.0004 |
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Cu1 .25 .25 .5 .0155 .0190 .0142 .0154 -.0019 .0027 -.0001 |
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Cu2 .1042 0 .3685 .0151 .0167 .0168 .0178 0 .0078 0 |
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Al 0 0 .5 .009 .0010 .014 .004 0 .002 0 |
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Sb 0 0 0 .0143 .0149 .0174 .0129 0 .0029 0 |
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O .0021 0 -.1695 .015 .023 .013 .018 0 .013 0 |
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OH1 .2386 0 -.4393 .019 .018 .013 .030 0 .006 0 |
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OH2 .0872 0 -.3442 .017 .008 .017 .025 0 -.001 0 |
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OH3 .0831 .1854 .0426 .019 .020 .024 .018 -.001 .005 .003 |
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OH4 .0409 .1717 .4173 .016 .022 .013 .021 .006 .008 .008 |
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OH5 .1695 .1833 .3398 .014 .020 .014 .013 -.004 .005 .002 |
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Cl1 .3679 0 .3963 .030 .035 .030 .025 0 -.002 0 |
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Cl2 .4491 0 -.1995 .023 .029 .019 .028 0 .008 0 |
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S1 .2497 0 -.0953 .015 .013 .021 .014 0 .003 0 |
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OS1 .1776 0 -.0709 .020 .005 .039 .021 0 .005 0 |
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OS2 .3103 0 .0298 .036 .015 .064 .029 0 .000 0 |
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OS3 .2482 .1596 -.1686 .034 .047 .028 .030 -.010 .006 .006 |
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