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Albrechtschraufite |
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Mereiter K |
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Mineralogy and Petrology 107 (2013) 179-188 |
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Description and crystal structure of albrechtschaufite, MgCa4F2[UO2(CO3)3]2*17-18H2O |
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Locality: Joachimsthal, Bohemia |
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_database_code_amcsd 0018906 |
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13.569 13.419 11.622 115.82 107.61 92.84 P-1 |
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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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Mg .41979 .42236 .02416 .01208 .0103 .0106 .0196 .0033 .0071 .0095 |
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Ca1 .48138 .14003 -.01359 .01200 .0101 .0100 .0176 .00278 .00448 .0083 |
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Ca2 .26561 .28073 .11208 .01607 .0140 .0172 .0242 .0048 .0092 .0142 |
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Ca3 .14312 .49698 .00952 .01470 .0109 .0129 .0244 .00482 .0079 .0110 |
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Ca4 .84563 -.14801 .60690 .02158 .0198 .0226 .0241 .0067 .0067 .0132 |
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F1 .42284 .30237 .07639 .0158 .0163 .0146 .0251 .0075 .0108 .0140 |
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F2 .28315 .42011 .04822 .0170 .0138 .0178 .0292 .0082 .0125 .0159 |
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U1 .785960 .222723 .024224 .01188 .00929 .00999 .02019 .00339 .00647 .00949 |
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O1 .74685 .15651 -.1575 .0227 .0235 .0224 .0239 .0046 .0090 .0122 |
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O2 .82393 .2874 .2066 .0247 .0239 .0248 .0246 .0048 .0082 .0114 |
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C1 .6367 .3698 .0125 .0133 .0106 .0134 .0196 .0028 .0072 .0098 |
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O3 .73351 .39875 .0304 .0219 .0117 .0189 .0469 .0072 .0148 .0224 |
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O4 .61109 .27159 .0015 .0201 .0133 .0142 .0410 .0051 .0120 .0181 |
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O5 .57073 .43339 .0070 .0159 .0120 .0142 .0292 .0074 .0097 .0148 |
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C2 .7097 .0058 -.0043 .0149 .0143 .0145 .0209 .0044 .0079 .0116 |
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O6 .65044 .07884 -.0028 .0187 .0126 .0162 .0344 .0068 .0112 .0160 |
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O7 .80697 .03892 .0097 .0209 .0123 .0173 .0417 .0064 .0125 .0192 |
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O8 .67681 -.08996 -.0198 .0200 .0175 .0126 .0372 .0054 .0140 .0151 |
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C3 .9999 .3096 .0624 .0156 .0137 .0139 .0236 .0031 .0094 .0108 |
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O9 .97519 .21572 .0643 .0212 .0133 .0189 .0433 .0075 .0122 .0229 |
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O10 .92175 .36065 .0483 .0198 .0123 .0183 .0388 .0077 .0122 .0195 |
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O11 .09083 .34862 .0737 .0176 .0108 .0177 .0294 .0040 .0091 .0142 |
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U2 .712257 .029017 .409056 .01376 .01459 .01152 .01319 .00350 .00292 .00546 |
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O12 .61179 .0290 .4798 .0274 .0248 .0315 .0275 .0080 .0124 .0131 |
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O13 .81365 .02859 .3390 .0236 .0228 .0221 .0219 .0027 .0095 .0062 |
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C4 .6096 .1523 .2797 .0198 .0239 .0168 .0190 .0097 .0056 .0095 |
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O14 .6776 .1997 .4022 .0337 .0492 .0159 .0200 .0090 -.0053 .0064 |
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O15 .58873 .04167 .2163 .0213 .0233 .0144 .0196 .0038 .0014 .0067 |
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O16 .56460 .20789 .2235 .0232 .0280 .0212 .0219 .0122 .0058 .0128 |
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C5 .6672 -.2150 .2593 .0144 .0124 .0144 .0171 .0020 .0045 .0085 |
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O17 .61595 -.15313 .2135 .0203 .0221 .0127 .0183 .0030 -.0010 .0064 |
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O18 .73345 -.15961 .3839 .0202 .0236 .0147 .0157 .0036 -.0004 .0066 |
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O19 .65280 -.32068 .1888 .0182 .0214 .0106 .0195 .0038 .0049 .0061 |
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C6 .8780 .1388 .6711 .0181 .0192 .0164 .0166 .0041 .0060 .0062 |
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O20 .84375 .03029 .6060 .0230 .0265 .0150 .0186 .0027 -.0005 .0062 |
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O21 .82359 .19240 .6130 .0236 .0286 .0151 .0182 .0038 .0009 .0053 |
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O22 .95725 .1897 .7792 .0251 .0190 .0223 .0203 .0029 -.0006 .0036 |
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OW1 .4944 .5398 .2360 .0363 .0445 .0247 .0262 .0014 .0022 .0082 |
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H1A .5122 .6073 .2745 .044 |
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H1B .5140 .5184 .2920 .044 |
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OW2 .16162 .16731 .1731 .0213 .0168 .0215 .0313 .0075 .0099 .0162 |
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H2A .1608 .1028 .1238 .026 |
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H2B .1030 .1779 .1499 .026 |
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OW3 .3992 .2770 .3111 .0356 .0288 .0465 .0414 .0111 .0134 .0285 |
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H3A .4558 .2679 .3058 .043 |
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H3B .3810 .2362 .3380 .043 |
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OW4 .16557 .1755 -.1257 .0295 .0237 .0242 .0307 .0110 .0065 .0062 |
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H4A .1777 .1190 -.1776 .035 |
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H4B .1049 .1763 -.1589 .035 |
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OW5 .2896 .4597 .3224 .0840 .135 .067 .0303 .066 .013 .0135 |
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H5A .2820 .5183 .3218 .101 |
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H5B .3113 .4720 .4005 .101 |
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OW6 .03802 .58768 .1502 .0204 .0188 .0171 .0247 .0040 .0079 .0095 |
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H6A .0432 .6544 .1770 .024 |
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H6B .0553 .5772 .2155 .024 |
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OW7 .1406 .3647 -.2292 .0306 .0239 .0354 .0312 .0112 .0100 .0140 |
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H7A .1997 .3635 -.2282 .037 |
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H7B .1096 .3804 -.2875 .037 |
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OW8 .26404 .6352 .2451 .0316 .0231 .0267 .0342 .0053 .0102 .0054 |
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H8A .2356 .6826 .2843 .038 |
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H8B .3192 .6665 .2527 .038 |
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OW9 .9554 -.2792 .6310 .0824 .093 .081 .0398 .064 -.001 .0120 |
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H9A .0086 -.2664 .6934 .099 |
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H9B .9598 -.3278 .5627 .099 |
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OW10 .9648 -.1445 .4849 .0565 .0283 .082 .0358 -.0007 .0143 .0072 |
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H10A .0258 -.1165 .5311 .068 |
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H10B .9616 -.2035 .4218 .068 |
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OW11 .9914 -.0199 .8123 .0379 .0301 .0324 .0425 -.0032 -.0036 .0221 |
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H11A .0456 -.0268 .8572 .046 |
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H11B .9974 .0451 .8289 .046 |
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OW12 .6816 -.0963 .6487 .0387 .0419 .0461 .0448 .0165 .0231 .0299 |
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H12A .6311 -.1194 .5795 .046 |
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H12B .6829 -.0313 .6962 .046 |
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OW13 .7301 -.3298 .4698 .0889 .061 .042 .132 -.0128 -.010 .046 |
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H13A .6872 -.3525 .3945 .107 |
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H13B .7274 -.3788 .4910 .107 |
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Wat14 .4693 .7833 .3448 .0729 .056 .047 .129 .0149 .054 .038 |
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Wat15 .9132 .5259 .3904 .130 .252 .044 .060 .032 .031 .011 |
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Wat16 .6569 .4376 .3695 .170 .264 .042 .119 -.030 -.023 .033 |
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Wat17 .1280 .5998 .4224 .0976 .096 .115 .090 -.016 .018 .069 |
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Wat18 .5118 .5130 .4582 .287 .099 |
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