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Kutinaite |
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Karanovic L, Poleti D, Makovicky E, Balic-Zunic T, Makovicky M |
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The Canadian Mineralogist 40 (2002) 1437-1449 |
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The crystal structure of synthetic kutinaite, Cu14Ag6As7 |
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_database_code_amcsd 0005793 |
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11.78079 11.78079 11.78079 90 90 90 Pm-3m |
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atom x y z occ Biso |
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Ag1 .323 .5 0 2.5 |
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Ag2 .178 0 0 1.8 |
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Ag3 .187 .5 .5 2.6 |
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As1 .5 .250 .250 1.9 |
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As2 0 .248 .248 2.0 |
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As3 .5 0 0 1.0 |
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As4 .5 .5 .5 3. |
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Cu1 .331 .331 .1655 .84 2.3 |
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Cu2 .123 .123 .383 1.9 |
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Cu3 .382 .382 .382 3.0 |
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Cu4 .167 .167 .167 .52 2.3 |
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Tennantite |
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Makovicky E, Karanovic L, Poleti D, Balic-Zunic T, Paar W H |
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The Canadian Mineralogist 43 (2005) 679-688 |
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Crystal structure of copper-rich unsubstituted tennantite, Cu12.5As4S13 |
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Sample: Cerro Atajo, Catamarco, Argentina |
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_database_code_amcsd 0006002 |
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10.1756 10.1756 10.1756 90 90 90 I-43m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 .25 .5 0 .0238 .0309 .0202 .0202 0 0 0 |
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Cu2A .2174 0 0 .75 .046 .0175 .060 .060 0 0 -.032 |
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Cu2B .075 .075 -.2139 .17 .050 .057 .057 .035 .025 .018 .018 |
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As .2586 .2586 .2586 .98 .0180 .0180 .0180 .0180 -.0002 -.0002 -.0002 |
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Sb .2586 .2586 .2586 .02 .0180 .0180 .0180 .0180 -.0002 -.0002 -.0002 |
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S1 .1184 .1184 .3570 .0183 .0195 .0195 .0158 -.0001 .0019 .0019 |
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S2 0 0 0 .020 .0205 .0205 .0205 0 0 0 |
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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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Kirkiite |
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Makovicky E, Balic-Zunic T, Karanovic L, Poleti D |
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The Canadian Mineralogist 44 (2006) 177-188 |
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The crystal structure of kirkiite, Pb10Bi3As3S19 |
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Locality: lead-zinc deposit of Aghios Philippos, near Kirki, in Thrace, Greece |
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_database_code_amcsd 0006074 |
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8.621 26.03 8.810 90 119.21 90 P2_1/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pbl .7400 .0026 .2340 .033 .032 .025 .049 .003 .025 .003 |
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Pb2 .5833 .1225 .4235 .034 .039 .029 .043 .004 .026 -.002 |
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Pb3 .0702 .12613 .9000 .027 .014 .023 .038 .003 .006 .001 |
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Pb4 .5736 .12606 .9023 .75 .029 .017 .021 .040 -.003 .007 .003 |
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Bi4 .5736 .12606 .9023 .25 .029 .017 .021 .040 -.003 .007 .003 |
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Pb5 .934 .25 .1162 .045 .056 .026 .068 0 .042 0 |
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Pb6 .906 .25 .5696 .5 .029 .009 .027 .027 0 -.011 0 |
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Bi6 .906 .25 .5696 .5 .029 .009 .027 .027 0 -.011 0 |
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Pb7 .406 .25 .567 .038 .011 .034 .043 0 -.008 0 |
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Bi1 .241 .0021 .239 .58 .010 |
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As1 .277 -.004 .259 .42 .014 |
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As2 .074 .1200 .416 .014 |
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As3 .408 .2805 .073 .50 .019 |
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Sl .412 .0621 .044 .012 |
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S2 .868 .0557 .016 .046 |
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S3 .469 .0548 .623 .019 |
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S4 .897 .0539 .615 .025 |
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S5 .830 .1649 .292 .032 |
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S6 .213 .1649 .281 .023 |
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S7 .739 .1811 .719 .037 |
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S8 .207 .1638 .669 .033 |
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S9 .548 .25 .944 .014 |
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S10 .12 .25 .930 .09 |
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S11 .548 .25 .343 .036 |
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Nobleite |
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Karanovic L, Rosic A, Poleti D |
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European Journal of Mineralogy 16 (2004) 825-833 |
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Crystal structure of nobleite, Ca[B6O9(OH)2]*3H2O, from Jarandol (Serbia) |
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Note: Ca analogue of tunellite |
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Locality: Kopaonik Mt, central Serbia |
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_database_code_amcsd 0007081 |
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14.580 8.0240 9.8486 90 111.801 90 P2_1/a |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .1904 .0533 .2172 .015 .0211 .0146 .0120 -.0019 .0076 -.0009 |
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B1 .1838 .1496 .8444 .012 .0155 .0104 .0099 .0015 .0061 .0000 |
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B2 .1845 .1510 .5809 .012 .0182 .0093 .0082 .0010 .0058 .0014 |
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B3 .0371 .2324 .6283 .016 .0146 .0168 .0165 .0010 .0051 .0014 |
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B4 .2980 -.0565 .7719 .012 .0166 .0096 .0099 .0013 .0061 .0010 |
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B5 .2440 -.1159 .5121 .013 .0171 .0104 .0106 -.0016 .0056 -.0010 |
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B6 .2496 -.1137 .9825 .012 .0161 .0104 .0101 -.0023 .0058 -.0017 |
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O1 .1932 .0291 .9597 .014 .0232 .0117 .0120 .0032 .0107 .0027 |
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O2 .1993 .0359 .4771 .015 .0250 .0102 .0101 .0028 .0081 .0006 |
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O3 -.0546 .3061 .5742 .027 .0197 .0430 .0187 .0130 .0075 .0059 |
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O4 .0284 .1873 .2082 .039 .0319 .0414 .0375 -.0028 .0042 -.0081 |
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O5 .3902 .0339 .8026 .021 .0153 .0184 .0301 .0001 .0089 .0025 |
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O6 .2534 -.2005 .3981 .015 .0238 .0113 .0102 .0036 .0081 .0004 |
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O7 .2799 -.1737 .6520 .016 .0273 .0115 .0101 .0050 .0080 .0002 |
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O8 .2530 -.2051 .1004 .015 .0210 .0125 .0125 .0027 .0087 .0030 |
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O9 .2995 -.1574 .8955 .014 .0205 .0133 .0113 .0041 .0089 .0032 |
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O10 .0806 .1999 .7744 .017 .0148 .0235 .0129 .0036 .0059 .0005 |
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O11 .0807 .1968 .5317 .017 .0159 .0232 .0121 .0047 .0047 .0023 |
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O12 .0613 -.1446 .1061 .024 .0204 .0235 .0288 .0002 .0118 .0032 |
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O13 .3661 .0917 .2892 .032 .0271 .0362 .0301 -.0037 .0084 -.0083 |
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O14 .2146 .0674 .7298 .011 .0164 .0090 .0086 .0016 .0067 .0014 |
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H1 -.078 .337 .636 .046 |
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H2 -.026 .161 .137 .12 |
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H3 .008 .180 .290 .12 |
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H4 .431 -.033 .821 .059 |
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H5 .090 -.253 .129 .076 |
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H6 .011 -.148 .130 .059 |
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H7 .402 .072 .259 .13 |
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H8 .390 .120 .373 .09 |
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Sr5(AsO4)3F |
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Dordevic T, Sutovic S, Stojanovic J, Karanovic L |
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Acta Crystallographica C64 (2008) i82-i86 |
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Sr, Ba and Cd arsenates with the apatite-type structure |
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Locality: synthetic |
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_database_code_amcsd 0010344 |
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9.990 9.990 7.395 90 90 120 P6_3/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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Sr1 1/3 2/3 .00132 .01060 .0126 .0126 .0067 .00628 0 0 |
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Sr2 .23777 .98886 .25 .01059 .0121 .0095 .0096 .00497 0 0 |
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As .40023 .37000 .25 .00793 .0086 .0081 .0077 .00463 0 0 |
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O1 .3236 .4861 .25 .0138 .0193 .0125 .0158 .0124 0 0 |
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O2 .5940 .4701 .25 .0159 .0090 .0115 .0262 .0043 0 0 |
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O3 .3438 .2541 .0688 .0202 .0365 .0164 .0127 .0170 -.0120 -.0074 |
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F 0 0 .25 .0387 .0163 .0163 .083 .0082 0 0 |
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Morelandite |
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Dordevic T, Sutovic S, Stojanovic J, Karanovic L |
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Acta Crystallographica C64 (2008) i82-i86 |
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Sr, Ba and Cd arsenates with the apatite-type structure |
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Locality: synthetic |
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_database_code_amcsd 0010345 |
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10.390 10.390 7.575 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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Sr1 1/3 2/3 .00205 .830 .0177 .0196 .0196 .0138 .00981 0 0 |
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Ba1 1/3 2/3 .00205 .169 .0177 .0196 .0196 .0138 .00981 0 0 |
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Ba2 .24448 .98591 .25 .871 .0174 .0178 .0183 .0161 .0090 0 0 |
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Sr2 .24448 .98591 .25 .129 .0174 .0178 .0183 .0161 .0090 0 0 |
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As .41242 .37889 .25 .0143 .0139 .0130 .0158 .0066 0 0 |
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O1 .3507 .5015 .25 .0267 .038 .028 .026 .025 0 0 |
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O2 .5991 .4661 .25 .0323 .017 .020 .064 .012 0 0 |
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O3 .3574 .2700 .0719 .0445 .075 .035 .033 .034 -.033 -.022 |
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Cl 0 0 0 .0276 .0305 .0305 .0219 .0153 0 0 |
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Cd5(AsO4)3Cl.58(OH).42 |
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Dordevic T, Sutovic S, Stojanovic J, Karanovic L |
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Acta Crystallographica C64 (2008) i82-i86 |
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Sr, Ba and Cd arsenates with the apatite-type structure |
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Locality: synthetic |
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_database_code_amcsd 0010346 |
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9.971 9.971 6.514 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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Cd1 1/3 2/3 .00216 .01110 .0135 .0135 .0063 .00675 0 0 |
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Cd2 .26495 .02676 .25 .01741 .0285 .0109 .0087 .0067 0 0 |
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As .40361 .37911 .25 .00749 .0083 .0078 .0076 .0050 0 0 |
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Cl 0 0 .25 .58 .0247 .0106 .0106 .053 .0053 0 0 |
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O4 0 0 .25 .42 .0247 .0106 .0106 .053 .0053 0 0 |
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H 0 0 .113 .210 .030 |
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O1 .3511 .5125 .25 .0125 .023 .012 .010 .013 0 0 |
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O2 .6004 .4623 .25 .0126 .008 .010 .015 .0014 0 0 |
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O3 .3412 .2579 .0471 .0151 .0249 .0106 .0111 .0098 -.0070 -.0042 |
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Picotpaulite |
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Balic-Zunic T, Karanovic L, Poleti D |
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Acta Chimica Slovenica 55 (2008) 801-809 |
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Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia |
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Locality: Allchar, FYR Macedonia |
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_database_code_amcsd 0011971 |
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9.083 10.754 5.412 90 90 90 Cmcm |
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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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Tl .5 .1609 .25 .0448 .045 .060 .029 0 0 0 |
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Fe .3518 .5 0 .0203 .020 .037 .004 0 0 -.001 |
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S1 .5 .6212 .25 .019 .022 .028 .008 0 0 0 |
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S2 .2191 .3827 .25 .028 .025 .046 .014 -.013 0 0 |
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|
| Download AMC data (View Text File)
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Enargite |
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Karanovic L, Cvetkovic L, Poleti D, Balic-Zunic T, Makovicky E |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 241-253 |
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Crystal and absolute structure of enargite from Bor (Serbia) |
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Locality: Bor, Serbia |
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_database_code_amcsd 0014921 |
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7.4127 6.4404 6.1577 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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Cu1 0 .1533 .5005 .0309 .0300 .0315 .0311 0 0 .0053 |
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Cu2 .2478 .3258 .9919 .0301 .0294 .0311 .0297 .0014 -.0016 -.0008 |
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As 0 .8277 .0000 .0197 .0182 .0196 .0214 0 0 -.0004 |
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S1 0 .8225 .6411 .0215 .0219 .0272 .015 0 0 .0025 |
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S2 0 .1474 .1255 .0219 .0221 .0198 .024 0 0 -.0004 |
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S3 .2565 .3354 .6199 .0215 .0189 .0247 .021 .0011 .0005 .0005 |
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|
| Download AMC data (View Text File)
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