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Allochalcoselite |
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Krivovichev S V, Filatov S K, Burns P C, Vergasova L P |
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The Canadian Mineralogist 44 (2006) 507-514 |
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The crystal structure of allochalcoselite, Cu+Cu2+5PbO2(SeO3)2Cl5, |
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a mineral with well-defined Cu+ and Cu2+ positions |
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Locality: fumaroles of the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia |
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_database_code_amcsd 0006091 |
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18.468 6.1475 15.314 90 119.284 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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Cu1 .98610 .2462 .74348 .0136 .0094 .0166 .0155 -.0019 .0067 -.0042 |
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Cu2 .93169 0 .5343 .0196 .0094 .0437 .0070 0 .0050 0 |
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Cu3 .93998 .5 .0455 .0153 .0084 .0296 .0075 0 .0035 0 |
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Cu4 .64740 0 .8306 .0197 .0145 .0284 .0222 0 .0137 0 |
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Cu5 .5 0 .5 .0291 .024 .032 .032 0 .015 0 |
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Cu6 0 0 0 .0427 .064 .038 .042 0 .038 0 |
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Pb .79657 0 .63877 .0152 .0089 .0217 .0134 0 .0042 0 |
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Se1 .12845 0 .70903 .0113 .0053 .0192 .0093 0 .0034 0 |
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Se2 .85671 .5 .79940 .0118 .0071 .0189 .0100 0 .0047 0 |
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O1 .8829 .7134 .7511 .016 .014 .023 .013 .000 .008 .001 |
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O2 .0946 .2154 .7468 .022 .016 .027 .028 -.004 .015 -.009 |
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O3 .9401 .5 .9184 .016 .012 .031 .003 0 .003 0 |
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O4 .9317 0 .6582 .011 .009 .015 .013 0 .008 0 |
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O5 .0401 .5 .8211 .012 .002 .024 .005 0 -.001 0 |
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O6 .0551 0 .5867 .026 .014 .056 .001 0 -.002 0 |
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Cl1 .6982 0 .0082 .0222 .008 .041 .012 0 .001 0 |
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Cl2 .5865 0 .4462 .0312 .028 .039 .024 0 .011 0 |
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Cl3 .7886 0 .4388 .0221 .013 .036 .019 0 .008 0 |
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Cl4 .7613 0 .8150 .0275 .017 .044 .026 0 .013 0 |
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Cl5 .0623 0 .9198 .0314 .040 .032 .016 0 .009 0 |
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Pauflerite |
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Krivovichev S V, Vergasova L P, Britvin S N, Filatov S K, Kahlenberg V, Ananiev V V |
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The Canadian Mineralogist 45 (2007) 921-927 |
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Pauflerite, B-VO(SO4), a new mineral species from the Tolbachik volcano, |
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Kamchatka Peninsula, Russia |
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Locality: Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia |
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_database_code_amcsd 0006150 |
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7.3890 6.2740 7.0788 90 90 90 Pnma |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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V .33473 .25 .26710 .0082 .0096 .0060 .0091 0 -.0020 0 |
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S .37696 .75 .36810 .0064 .0063 .0055 .0074 0 -.0006 0 |
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O1 .3752 .5627 .2434 .0120 .0191 .0055 .0115 -.0005 .0005 -.0019 |
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O2 .1264 .25 .3324 .0127 .0094 .0139 .0146 0 -.0009 0 |
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O3 .5448 .75 .4807 .0124 .0084 .0198 .0088 0 -.0029 0 |
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O4 .2157 .75 .4901 .0125 .0101 .0196 .0078 0 .0018 0 |
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Parageorgbokiite |
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Krivovichev S V, Filatov S K, Burns P C, Vergasova L P |
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The Canadian Mineralogist 45 (2007) 929-934 |
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The crystal structure of parageorgbokiite, B-Cu5O2(SeO3)2Cl2 |
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Locality: Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia |
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_database_code_amcsd 0006151 |
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5.3982 8.0543 11.1277 90 99.258 90 P2_1/c |
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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 .52244 .20949 .38388 .0136 .0163 .0145 .0108 -.0039 .0044 -.0029 |
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Cu2 0 .5 .5 .0126 .0096 .0174 .0107 -.0025 .0020 -.0010 |
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Cu3 .47613 .57640 .38012 .0116 .0128 .0133 .0094 .00218 .0034 .0012 |
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Se .13167 .90880 .28438 .0108 .0117 .0123 .0090 -.00031 .0033 .0003 |
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Cl .7221 .8513 .47423 .0197 .0215 .0244 .0149 -.0057 .0076 -.0016 |
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O1 .6724 .3980 .4729 .0108 .0102 .0138 .0088 -.0010 .0030 -.0005 |
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O2 .3464 .0584 .2599 .0153 .0184 .0175 .0114 -.0089 .0063 -.0045 |
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O3 .2846 .7324 .2511 .0135 .0171 .0125 .0114 .0051 .0035 .0047 |
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O4 -.0834 .9311 .1590 .0151 .0119 .0221 .0118 .0006 .0036 .0051 |
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Filatovite |
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Filatov S K, Krivovichev S V, Burns P C, Vergasova L P |
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European Journal of Mineralogy 16 (2004) 537-543 |
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Crystal structure of filatovite, K[(Al,Zn)2(As,Si)2O8], |
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the first arsenate of the feldspar group |
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_database_code_amcsd 0007076 |
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8.772 13.370 14.690 90 115.944 90 I2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K .28451 .00038 .06940 .90 .0465 .0292 .0567 .0483 -.0009 .0122 -.0010 |
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Na .28451 .00038 .06940 .10 .0465 .0292 .0567 .0483 -.0009 .0122 -.0010 |
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AsT1 .00850 .18364 .10767 .55 .0175 .0187 .0189 .0154 -.00378 .00783 -.00119 |
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SiT1 .00850 .18364 .10767 .45 .0175 .0187 .0189 .0154 -.00378 .00783 -.00119 |
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AlT2 .00558 .18560 .61510 .94 .0205 .0201 .0236 .0181 -.0032 .0085 -.0014 |
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ZnT2 .00558 .18560 .61510 .06 .0205 .0201 .0236 .0181 -.0032 .0085 -.0014 |
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AlT3 .71009 .12077 .17143 .96 .0215 .0207 .0197 .0229 -.0009 .0084 -.0007 |
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ZnT3 .71009 .12077 .17143 .04 .0215 .0207 .0197 .0229 -.0009 .0084 -.0007 |
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AsT4 .70229 .11568 .67225 .55 .0177 .0174 .0154 .0185 -.00107 .00627 -.00060 |
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SiT4 .70229 .11568 .67225 .45 .0177 .0174 .0154 .0185 -.00107 .00627 -.00060 |
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O1 .0046 .1435 .0010 .0292 .0389 .0292 .0200 -.0001 .0134 -.0031 |
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O2 .6299 .9986 .1418 .0345 .0303 .0203 .0418 .0027 .0056 .0047 |
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O3 .8340 .1450 .1076 .0448 .0342 .062 .0476 -.0176 .0264 -.0069 |
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O4 .8160 .1447 .6131 .0406 .0290 .060 .0377 -.0080 .0191 .0006 |
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O5 .0253 .3055 .1204 .0297 .0312 .0201 .0352 -.0036 .0121 -.0042 |
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O6 .0336 .3145 .6345 .0305 .0238 .0241 .0386 -.0043 .0091 -.0046 |
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O7 .1751 .1303 .1970 .0351 .0359 .0371 .0211 .0047 .0023 .0034 |
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O8 .1839 .1214 .7048 .0311 .0305 .0354 .0212 .0051 .0056 .0008 |
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Kamchatkite |
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Varaksina T V, Fundamensky V S, Filatov S K, Vergasova L P |
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Mineralogical Magazine 54 (1990) 613-616 |
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The crystal structure of kamchatkite, a new naturally occuring |
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oxychloride sulphate of potassium and copper |
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Locality: Tolbachik Main Fracture eruption, Kamchatka, Russia |
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_database_code_amcsd 0014493 |
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9.741 12.858 7.001 90 90 90 Pna2_1 |
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atom x y z Biso |
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K .1346 .5745 .8472 2.19 |
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Cu1 .1520 .14914 .8363 .97 |
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Cu2 .2221 .90739 .8353 .95 |
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Cu3 -.0012 -.0009 .0811 .88 |
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S1 .1694 .8542 .3394 .81 |
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S2 .0710 .2097 .3353 .92 |
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O1 .1759 .9250 .5069 1.0 |
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O2 .0455 .7907 .3188 1.03 |
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O3 .2065 .2930 .8423 1.32 |
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O4 .1722 .9221 .1645 1.7 |
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O5 .0793 .7888 .8458 1.1 |
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O6 .1287 .1569 .4991 1.6 |
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O7 .1154 .3211 .3509 1.35 |
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O8 .1171 .1540 .1623 .9 |
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O9 .0797 .0101 .8227 .7 |
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Cl .1344 .5586 .3396 1.68 |
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Fedotovite |
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Starova G L, Filatov S K, Fundamensky V S, Vergasova L P |
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Mineralogical Magazine 55 (1991) 613-616 |
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The crystal structure of fedotovite, K2Cu3O(SO4)3 |
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Locality: Tolbachik fissure eruption, Kamchatka Peninsula, Russia |
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Note: x(S3), z(S3), and z(O11) changed to match bond length table |
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_database_code_amcsd 0014494 |
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19.0370 9.479 14.231 90 111.04 90 C2/c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K1 .32573 .7519 .4388 .001315 .008792 .004889 .000683 .000466 -.000040 |
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K2 .1957 .7346 .1249 .001370 .012103 .005555 .000831 .000699 -.001450 |
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Cu1 .48071 .01816 .34265 .001267 .003673 .001573 .000074 .000614 -.000357 |
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Cu2 .48587 .47738 .14018 .001196 .004229 .001658 -.000089 .000583 -.000695 |
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Cu3 .42119 .74635 .20615 .000934 .003172 .002494 .000015 .000445 .000159 |
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S1 .50646 .7505 .4904 .001568 .003339 .001261 .000015 .000763 .000020 |
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S2 .64724 .0261 .3652 .001196 .003812 .002211 .000282 .000403 .000238 |
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S3 .35150 .4648 .2148 .001045 .004007 .002579 -.000252 .000657 .000159 |
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O1 .5 .8908 .25 .001109 .003061 .001275 .000000 .000530 .000000 |
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O2 .4501 .8269 .4066 .001584 .005287 .002211 .000148 .000752 .000894 |
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O3 .5620 .6771 .4582 .002059 .005008 .002126 -.000163 .000191 .000834 |
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O4 .4636 .6480 .5267 .001821 .004452 .002267 .000119 .000784 -.000913 |
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O5 .5891 .0572 .4098 .001346 .008069 .002976 -.000297 .000561 -.001787 |
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O6 .4051 .4394 .3183 .001505 .006956 .002551 -.000148 .000593 -.001430 |
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O7 .3385 .6195 .2000 .001109 .004730 .005527 .000059 .000742 .000596 |
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O8 .2803 .3966 .2007 .001425 .006399 .004393 .001039 .001059 .000199 |
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O9 .5478 .8504 .5706 .001505 .004257 .002692 -.000074 .000763 -.001072 |
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O10 .6215 .0720 .2585 .001663 .008069 .002551 .000891 .000530 -.001191 |
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O11 .3844 .4150 .1430 .001742 .008069 .003259 -.001336 .001377 -.001589 |
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O12 .5 .6045 .25 .000871 .002782 .001984 .000000 .000424 .000000 |
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O13 .6606 .8707 .3699 .001267 .004452 .004535 .000238 -.000106 .000218 |
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O14 .7169 .0959 .4243 .001346 .006121 .003401 .000742 .000318 .000397 |
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Sophiite |
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Semenova T F, Rozhdestvenskaya I V, Filatov S K, Vergasova L P |
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Mineralogical Magazine 56 (1992) 241-245 |
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Crystal structure and physical properties of sophiite, Zn2(SeO3)Cl2, a new mineral |
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Locality: Tolbachik Main Fracture Eruption, Kamchatka, Russia |
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Note: y(Zn2) corrected |
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_database_code_amcsd 0014495 |
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10.251 15.223 7.666 90 90 90 Pccn |
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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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Zn1 .4942 .3850 .3493 1.71 .003973 .001985 .006892 -.000192 .000382 -.000857 |
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Zn2 .7234 .4691 .1016 1.84 .002736 .003333 .005445 .000801 -.000350 -.000407 |
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Se .4636 .5909 .2241 1.22 .002450 .001413 .005658 -.000032 .000445 -.000021 |
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Cl1 .2845 .3778 .4320 2.13 .003569 .002158 .012337 -.000481 .001273 .000643 |
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Cl2 .5910 .2976 .1599 2.87 .009754 .002265 .010210 .001282 .002227 -.000643 |
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O1 .4098 .5863 .4320 1.4 .002379 .002589 .003829 -.000481 .000954 -.000643 |
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O2 .5473 .4947 .2097 1.5 .001665 .001726 .008934 .000320 .002227 .000214 |
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O3 .3164 .5575 .1476 1.4 .003093 .002050 .004254 .000801 .002227 -.000214 |
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Klyuchevskite |
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Gorskaya M G, Filatov S K, Rozhdestvenskaya I V, Vergasova L P |
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Mineralogical Magazine 56 (1992) 411-416 |
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The crystal structure of klyuchevskite, K3Cu3(Fe,Al)O2(SO4)4, |
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a new mineral from Kamchatka volcanic sublimates |
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Locality: Tolbachik Main Fracture Eruption, Kamchatka Peninsula, Russia |
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_database_code_amcsd 0014497 |
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18.6670 4.94 18.405 90 101.5 90 I2 |
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atom x y z occ Biso |
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K1 .5 .448 .5 1.47 |
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K2 0 .464 .5 1.69 |
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K3 .37 .503 .746 1.5 |
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K4 .429 -.019 .28 1.88 |
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Cu1 .186 0 .535 1.5 |
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Cu2 .259 .015 .41 1.2 |
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Cu3 .17 .485 .416 1.0 |
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Fe .302 .528 .531 .82 .9 |
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Al .302 .528 .531 .18 .9 |
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S1 .184 .535 .628 1.05 |
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S2 .329 .48 .366 1.32 |
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S3 .074 -.022 .366 .91 |
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S4 .407 .02 .604 1.23 |
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O1 .173 .48 .708 1.5 |
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O2 .136 .334 .568 1.5 |
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O3 .16 .8 .608 1.5 |
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O4 .261 .521 .62 1.5 |
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O5 .35 .507 .445 1.5 |
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O6 .39 .443 .329 1.5 |
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O7 .318 .776 .356 1.5 |
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O8 .274 .233 .343 1.5 |
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O9 .005 .038 .315 1.5 |
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O10 .09 .663 .363 1.5 |
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O11 .064 .027 .445 1.5 |
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O12 .134 .178 .358 1.5 |
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O13 .478 .014 .575 1.5 |
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O14 .415 .052 .687 1.5 |
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O15 .391 .331 .586 1.5 |
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O16 .349 .841 .553 1.5 |
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O17 .232 .755 .478 1.5 |
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O18 .226 .254 .477 1.5 |
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Lammerite-beta |
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Starova G L, Vergasova L P, Filatov S K, Britvin S N. Ananyev V V |
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Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 140 (2011) 46-51 |
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Lammerite-beta, Cu3(AsO4)2 - a new mineral from fumaroles of the Great |
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Fissure Tolbachic eruption (Kamchatka, Russia) |
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Locality: Second cinder cone, North Branch, Tolbach volcano, Kamchatka, Russia |
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_database_code_amcsd 0018801 |
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6.306 8.643 11.310 90 92.26 90 P2_1/c |
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atom x y z Uiso |
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Cu1 .2429 .1645 .6322 .010 |
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Cu2 -.0925 .1900 .4316 .008 |
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Cu3 -.6172 .0312 .1225 .011 |
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As1 -.5861 .1137 .3681 .005 |
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As2 -.1040 .0603 .1509 .006 |
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O1 -.0411 .2404 .1044 .009 |
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O2 -.5177 -.0717 .3641 .012 |
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O3 -.3970 .2394 .4177 .009 |
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O4 -.6597 .1556 .2262 .010 |
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O5 .0840 -.0689 .1188 .010 |
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O6 -.1287 .0510 .2983 .010 |
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O7 -.3289 -.0022 .0835 .011 |
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O8 .2031 .1304 .4554 .013 |
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