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Zippeite |
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Plasil J, Mills S J, Fejfarova K, Dusek M, Novak M, Skoda R, Cejka J, Sejkora J |
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The Canadian Mineralogist 49 (2011) 1089-1103 |
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The crystal structure of natural zippeite, K1.85H+0.15[(UO2)4O2(SO4)2(OH)2](H2O)4, |
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from Jachymov, Czech Republic |
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Locality: Jachymov, Czech Republic |
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_database_code_amcsd 0018658 |
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8.7802 13.9903 8.8630 90 104.524 90 C2/m |
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atom x y z occ Uiso |
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U .32998 .23438 .32576 .0279 |
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S .5 .2579 0 .023 |
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K1 .118 .5 .353 .24 .063 |
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H1 .118 .5 .353 .04 .063 |
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K2 -.067 .5 -.233 .68 .063 |
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H2 -.067 .5 -.233 .04 .063 |
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O1 .1233 .1800 .096 .031 |
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O2 .435 .1961 .103 .032 |
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O3 .303 .3556 .275 .041 |
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O4 .353 .1107 .363 .039 |
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O5 .102 .2369 .410 .5 .055 |
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OH5 .102 .2369 .410 .5 .055 |
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WatO6a .061 0 .300 .47 .047 |
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WatO6b .074 0 .399 .53 .047 |
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WatO7a .225 .5 -.011 .75 .055 |
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WatO7b .334 .5 .015 .25 .055 |
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NaMg(H2PO3)3*H2O |
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Ouarsal R, Tahiri A A, Lachkar M, Dusek M, Fejfarova K, El Bali B |
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Acta Crystallographica E59 (2003) i33-i35 |
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Sodium magnesium tris(dihydrogenphosphite) monohydrate, NaMg(H2PO3)3*H2O |
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_database_code_amcsd 0010399 |
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14.8060 9.078 14.811 90 90 90 Pbca |
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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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Na1 .93245 .06142 .15732 .0264 .0296 .0227 .0267 -.0072 -.0136 .0078 |
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Mg1 .95397 .44768 .16036 .01237 .0125 .0121 .0125 -.0001 -.0012 -.0003 |
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P1 .88097 .73759 .27655 .01290 .0114 .0125 .0148 -.00014 .0011 -.00160 |
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P2 .73601 -.03858 .03132 .01396 .0113 .0151 .0154 -.00106 .00093 -.0009 |
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P3 .99216 .27043 -.03020 .01409 .0168 .0124 .0131 -.00101 .0023 -.0008 |
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O1 .83022 .01936 .04050 .0219 .0133 .0309 .0214 -.0052 .0002 .0017 |
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O2 .67081 .01163 .10360 .0206 .0162 .0228 .0228 -.0016 .0063 -.0041 |
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O3 .93078 .88124 .27105 .0171 .0169 .0139 .0206 -.0016 -.0040 .0010 |
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O4 .97033 .40461 -.08581 .0194 .0197 .0210 .0175 .0001 .0018 .0068 |
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O5 .80042 .74139 .20597 .0243 .0158 .0230 .0340 .0058 -.0102 -.0110 |
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O6 .97054 .27935 .06863 .0191 .0303 .0149 .0121 -.0022 -.0006 .0004 |
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O7 .88190 .2877 .23950 .0211 .0146 .0288 .0199 -.0040 -.0009 .0034 |
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O8 .93482 .59990 .26106 .0173 .0187 .0153 .0178 .0034 -.0048 -.0036 |
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O9 .70170 .0047 -.06526 .0315 .0207 .0536 .0202 -.0060 -.0051 .0069 |
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O10 .94366 .1322 -.07248 .0339 .0546 .0291 .0179 -.0240 .0122 -.0089 |
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H1 .832 .289 .235 .047 |
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H2 .7366 -.177 .0279 .020 |
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H3 .8411 .726 .3515 .014 |
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H4 .912 .093 -.039 .067 |
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H5 .651 -.007 -.074 .051 |
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H6 .0773 .244 -.0395 .019 |
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H7 .895 .300 .296 .041 |
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H8 .807 .660 .171 .052 |
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K2Co(HPO3)2*2H2O |
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Ouarsal R, Essehli R, Lachkar M, Zenkouar M, Dusek M, Fejfarova K, El Bali B |
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Acta Crystallographica E60 (2004) i66-i68 |
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Dipotassium cobalt(II) bis(hydrogenphosphite) dihydrate, K2Co(HPO3)2*2H2O |
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_database_code_amcsd 0010429 |
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12.538 5.319 7.327 90 116.02 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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K .33740 .5 .71451 .0231 .0192 .0290 .0213 0 .0090 0 |
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Co .5 0 .5 .0148 .0155 .0124 .0170 0 .0076 0 |
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P .35035 .5 .25574 .0153 .0132 .0145 .0162 0 .0045 0 |
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O1 .4207 .5 .1329 .0255 .0265 .0327 .0201 0 .0128 0 |
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O2 .5159 0 .2161 .0276 .0283 .0338 .0219 0 .0120 0 |
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O3 .36625 .2659 .3831 .0214 .0217 .0141 .0294 .0024 .0120 .0043 |
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H1 .238 .5 .110 .014 |
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H2 .481 -.136 .160 .03 |
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Behounekite |
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Plasil J, Fejfarova K, Novak M, Dusek M, Skoda R, Hlousek J, Cejka J, |
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Majzlan J, Sejkora J, Machovic V, Talla D |
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Mineralogical Magazine 75 (2011) 2739-2753 |
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Behounekite, U(SO4)2(H2O)4, From Jachymov (St Joachimsthal), Czech Republic: |
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the first natural U4+ sulphate |
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Locality: Jachymov, Czech Republic |
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_database_code_amcsd 0018561 |
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14.6464 11.0786 5.6910 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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U .82892 .75 .12581 .0096 .0101 .0075 .0111 0 .00037 0 |
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S .8508 .4451 .3856 .0094 .0080 .0070 .0132 .0003 .0008 .0001 |
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O1 .9760 .75 .308 .020 .014 .011 .034 0 .015 0 |
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O2 .9244 .6247 .1104 .021 .012 .018 .033 .003 .0059 .0129 |
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O3 .8323 .5757 .3520 .019 .025 .010 .021 .0019 .0011 .0002 |
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O4 .9065 .4297 .5943 .017 .022 .010 .019 .0022 .0094 .0010 |
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O5 .7611 .3839 .4165 .018 .014 .020 .019 .010 .0059 .0035 |
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O6 .8949 .3968 .1751 .019 .0140 .021 .023 .0026 .0090 .0112 |
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O7 .7033 .75 .3837 .021 .022 .015 .026 0 .018 0 |
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H1 .701 .6896 .467 .025284 |
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H2 .912 .568 .199 .025264 |
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H3 .977 .644 .130 .025264 |
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H5 1.005 .6892 .347 .023617 |
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Weeksite |
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Fejfarova K, Plasil J, Yang H, Cejka J, Dusek M, Downs R T, Barkley M C, Skoda R |
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American Mineralogist 97 (2012) 750-754 |
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Revision of the crystal structure and chemical formula of weeksite, |
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K2(UO2)2(Si5O13)*4H2O |
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Locality: Anderson mine, Arizona, USA |
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_database_code_amcsd 0018760 |
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14.1957 14.2291 9.6305 90 111.578 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U1 .099331 .246786 .89678 .01189 .00807 .01867 .00959 .00057 .00403 .00072 |
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K1 -.0707 0 .8602 .951 .0369 .0280 .0310 .057 0 .0224 0 |
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K2 .2460 0 .8433 .930 .054 .058 .040 .089 0 .055 0 |
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Si1 0 .3068 .5 .0166 .0133 .0244 .0121 0 .0046 0 |
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Si2 .18748 .24984 .2495 .0116 .0094 .0180 .0080 .0011 .0038 -.0010 |
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Si3 .29855 .10998 .5004 .0184 .0220 .0156 .0192 -.0011 .0095 .0000 |
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O1 .4105 .1224 .4996 .033 .020 .030 .052 -.005 .018 -.002 |
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O2 .0712 .2440 .1370 .023 .006 .055 .007 .000 .001 -.001 |
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O3 .2472 .2551 .1367 .024 .009 .055 .009 .000 .005 -.001 |
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O4 .0366 .2437 .6473 .023 .024 .037 .008 .003 .006 .006 |
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O5 .2162 .1560 .3546 .027 .028 .026 .021 -.001 .002 .011 |
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O6 .2705 0 .4998 .022 .029 .012 .029 0 .013 0 |
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O7 .2892 .1573 .6467 .026 .036 .018 .027 -.003 .016 -.007 |
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O8 .1020 .1201 .9055 .029 .035 .019 .040 -.001 .021 .001 |
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O9 .0990 .3727 .8972 .032 .036 .020 .042 -.003 .016 -.003 |
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Wat10 .4310 0 .8411 .053 .033 .040 .073 0 .005 0 |
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Wat11 -.2624 0 .8441 .98 .059 .059 .052 .073 0 .034 0 |
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Wat12 0 0 .5 .72 .036 |
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Wat13 0 -.079 .5 .259 .036 |
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Wat14 -.0464 -.0614 .602 .281 .036 |
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Wat15 -.0917 -.0636 .398 .264 .036 |
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Wat16 -.445 0 .702 .24 .024 |
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Adolfpateraite |
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Plasil J, Hlousek J, Veselovsky F, Fejfarova K, Dusek M, |
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Skoda R, Novak M, Cejka J, Sejkora J, Ondrus P |
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American Mineralogist 97 (2012) 447-454 |
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Adolfpateraite, K(UO2)(SO4)(OH)(H2O), a new uranyl, |
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sulphate mineral from Jachymov, Czech Republic |
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Locality: Jachymov, Czech Republic |
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_database_code_amcsd 0018778 |
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8.0462 7.9256 11.3206 90 107.726 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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K .0606 .5351 .29766 .0210 .0175 .0202 .0248 .0014 .0057 .0021 |
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U .57544 .39873 .29873 .01234 .01067 .01020 .01605 -.00011 .00391 -.00059 |
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S .2038 .2656 .03944 .0137 .0136 .0122 .0141 .0009 .0024 .0006 |
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O1 .2158 .0791 .0607 .0193 .0185 .0127 .0226 -.0001 .0001 .0014 |
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O2 .4336 .1436 .3097 .016 .0165 .0133 .0186 -.0007 .0071 -.0020 |
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O3 .1482 .2038 .4062 .0210 .0225 .0228 .0152 -.0007 .0017 -.0031 |
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O4 .7482 .3253 .2440 .0195 .0185 .0175 .0246 .0017 .0095 -.0051 |
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O5 .4108 .4851 .3545 .0195 .0164 .0184 .0257 .0008 .0093 -.0020 |
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O6 .3786 .3421 .0946 .022 .0212 .0200 .0195 -.0091 -.0001 .0007 |
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O7 .0797 .3332 .0974 .0256 .0239 .0283 .0264 .0050 .0102 -.0034 |
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O8 .2654 .7336 .0135 .0289 .0211 .0329 .0280 .0038 .0004 -.0125 |
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H2a .359 .137 .335 .022 |
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H8a .159 .695 .002 .0347 |
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H8b .325 .645 .008 .0347 |
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Grimselite |
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Plasil J, Fejfarova K, Skala R, Skoda R, Meisser N, Hlousek J, Cisarova I, |
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Dusek M, Veselovsky F, Cejka J, Sejkora J, Ondrus P |
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Mineralogical Magazine 76 (2012) 443-453 |
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The crystal chemistry of the uranyl carbonate mineral grimselite, |
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(K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic |
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Note: Sample A |
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Locality: Jachymov, Czech Republic |
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_database_code_amcsd 0018908 |
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9.2507 9.2507 8.1788 90 90 120 P-62c |
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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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K1 .2897 0 0 .821 .0355 .0420 .0335 .0282 .0168 .0047 .0095 |
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Na1 .2897 0 0 .179 .0355 .0420 .0335 .0282 .0168 .0047 .0095 |
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Na2 1/3 2/3 .75 .0283 .0347 .0347 .0154 .0173 0 0 |
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U 2/3 1/3 .75 .01364 .01371 .01371 .01350 0 .00685 0 |
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C .9887 .6296 .75 .024 .019 .021 .032 .010 0 0 |
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O1 .9697 .4800 .75 .0282 .0154 .021 .0499 .011 0 0 |
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O2 .8497 .6324 .75 .0314 .022 .025 .050 .0138 0 0 |
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O3 2/3 1/3 .9686 .0352 .0451 .0451 .0155 .0226 0 0 |
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O4 .1293 .7588 .75 .0341 .0208 .022 .051 .0045 0 0 |
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Wat5 0 0 .122 .5 .090 .093 .093 .084 .046 0 0 |
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Grimselite |
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Plasil J, Fejfarova K, Skala R, Skoda R, Meisser N, Hlousek J, Cisarova I, |
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Dusek M, Veselovsky F, Cejka J, Sejkora J, Ondrus P |
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Mineralogical Magazine 76 (2012) 443-453 |
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The crystal chemistry of the uranyl carbonate mineral grimselite, |
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(K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic |
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Note: Sample B |
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Locality: Jachymov, Czech Republic |
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_database_code_amcsd 0018909 |
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9.3000 9.3000 8.2940 90 90 120 P-62c |
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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 .2922 0 0 .0368 .0420 .036 .031 .0178 .0043 .009 |
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Na 1/3 2/3 .75 .027 .029 .029 .022 .0143 0 0 |
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U 2/3 1/3 .75 .0165 .0149 .0149 .0197 .0075 0 0 |
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C .989 .632 .75 .022 .021 .016 .028 .009 0 0 |
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O1 .9677 .478 .75 .026 .010 .020 .048 .008 0 0 |
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O2 .8475 .6299 .75 .023 .018 .036 .035 .017 0 0 |
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O3 2/3 1/3 .965 .031 .030 .030 .034 .015 0 0 |
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O4 .1281 .759 .75 .026 .023 .024 .050 .008 0 0 |
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Wat5 0 0 .130 .5 .071 .083 .083 .05 .04 0 0 |
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