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Rakovanite |
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Kampf A R, Hughes J M, Marty J, Gunter M E, Nash B |
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The Canadian Mineralogist 49 (2011) 595-604 |
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Rakovanite, Na3{H3[V10O28]}*15H2O, a new member of the |
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pascoite family with a protonated decavanadate polyanion |
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Locality: Synthetic |
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_database_code_amcsd 0018383 |
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12.0248 17.121 18.140 90 106.242 90 P2_1/n |
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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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V1 .06629 -.12903 .10294 .0195 .0198 .0252 .0118 -.0010 .0014 -.0001 |
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V2 -.01357 -.12711 .24943 .0194 .0165 .0234 .0175 -.0011 .0035 .0005 |
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V3 .13092 -.21570 .39482 .0212 .0249 .0206 .0184 -.0028 .0065 .0031 |
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V4 .12453 -.03548 .39361 .0206 .0236 .0211 .0175 .0011 .0063 -.0009 |
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V5 .28535 -.03402 .10014 .0222 .0263 .0237 .0169 -.0002 .0065 .0047 |
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V6 .29434 -.21384 .10274 .0226 .0282 .0214 .0189 .0011 .0079 -.0026 |
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V7 .43406 -.12108 .24686 .0182 .0187 .0206 .0151 .0005 .0047 .0001 |
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V8 .35254 -.12222 .39303 .0181 .0187 .0199 .0144 -.0001 .0029 .0004 |
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V9 .21232 -.22040 .24850 .0175 .0205 .0154 .0154 -.0004 .0029 -.0010 |
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V10 .20634 -.02923 .24729 .0170 .0196 .0133 .0176 .0001 .0043 .0001 |
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Na1 .28198 .12442 -.06503 .0394 .0355 .0560 .0272 .0021 .0095 .0038 |
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Na2 -.19310 .13984 .16880 .0316 .0322 .0291 .0343 .0057 .0107 -.0028 |
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Na3 -.30959 .10623 .32547 .0325 .0325 .0328 .0318 .0038 .0083 -.0036 |
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O1 -.0685 -.1316 .05411 .0246 .020 .033 .018 -.001 -.0005 .001 |
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O2 -.1445 -.1279 .19691 .0238 .0161 .027 .024 .0005 -.0009 -.001 |
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O3 .1063 -.2848 .4479 .0295 .034 .026 .027 -.003 .007 .006 |
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O4 .0949 .0321 .4462 .0271 .028 .027 .028 .0034 .011 -.012 |
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O5 .3102 .0344 .0477 .0315 .038 .034 .024 -.003 .012 .009 |
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O6 .3261 -.2819 .0520 .0341 .042 .034 .029 .007 .015 -.007 |
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O7 .5663 -.1197 .29885 .0238 .016 .031 .023 -.001 .0021 -.000 |
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O8 .4860 -.1193 .44337 .0236 .0201 .0293 .0182 -.0022 .0004 -.0033 |
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O9 .2438 -.1249 .18500 .0160 .0197 .0160 .0110 .0027 .0023 .003 |
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O10 .1733 -.1244 .31152 .0166 .017 .017 .016 .0034 .0039 -.0017 |
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O11 .0566 -.1995 .1887 .0183 .020 .018 .017 -.0040 .0039 -.0011 |
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O12 .0531 -.0549 .1874 .0174 .015 .025 .011 -.0018 .0007 .0029 |
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O13 -.0107 -.2059 .3193 .022 .027 .021 .017 .004 .004 .001 |
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O14 -.0162 -.0489 .3178 .0213 .017 .023 .024 .001 .0063 -.005 |
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O15 .1005 -.1256 .44121 .0215 .023 .025 .017 -.001 .006 -.003 |
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O16 .2911 -.2009 .4359 .0192 .025 .018 .013 -.0005 .0022 .0035 |
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O17 .1775 -.2786 .3143 .0209 .020 .020 .021 -.003 .004 .000 |
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O18 .2864 -.0440 .4350 .020 .018 .025 .019 -.003 .007 .000 |
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O19 .1678 .0296 .3111 .0199 .022 .014 .023 -.0008 .004 -.001 |
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O20 .3662 -.1947 .3095 .0177 .021 .015 .015 .0005 .0027 -.0042 |
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O21 .3611 -.0505 .3077 .0160 .019 .015 .014 -.0013 .0031 -.0044 |
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O22 .4274 -.0438 .1780 .0199 .017 .025 .018 .0013 .0052 .0008 |
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O23 .4333 -.2005 .1802 .0217 .024 .019 .023 .003 .0076 -.000 |
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O24 .3174 -.1239 .05489 .0238 .027 .029 .017 .001 .008 -.001 |
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O25 .2403 .0302 .1819 .0178 .018 .018 .018 -.0018 .0055 .001 |
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O26 .1321 -.2054 .0609 .0238 .027 .028 .014 -.0022 .0039 -.0042 |
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O27 .1274 -.0487 .0606 .0212 .024 .024 .015 -.0029 .0028 .0020 |
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O28 .2501 -.2792 .1851 .0216 .026 .018 .019 -.000 .0027 -.003 |
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O29 .3867 .0315 -.1112 .044 .040 .042 .058 .002 .026 .012 |
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O30 .3741 .2151 -.1225 .038 .036 .043 .039 .002 .016 -.004 |
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O31 -.1394 .2460 .0980 .040 .046 .039 .031 -.014 .004 -.003 |
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O32 -.1075 .0522 .1008 .0414 .058 .042 .022 .026 .008 .004 |
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O33 -.3840 .1286 .0765 .0434 .041 .062 .030 .005 .014 .001 |
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O34 -.0071 .1488 .2551 .0491 .037 .028 .065 .002 -.014 -.008 |
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O35 -.2763 .2187 .2423 .044 .031 .049 .044 .018 -.003 -.018 |
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O36 -.2299 .0291 .2481 .038 .037 .042 .031 .007 .003 -.006 |
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O37 -.1203 .1231 .4046 .039 .033 .054 .029 .011 .007 -.003 |
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O38 -.5030 .1020 .2521 .047 .049 .026 .054 .010 -.005 -.012 |
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O39 -.3414 .0025 .4106 .0476 .063 .046 .031 -.027 .009 -.002 |
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O40 -.3779 .1955 .4015 .043 .059 .043 .021 .024 .002 -.002 |
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O41 .1760 .1302 .5923 .071 .061 .084 .079 .006 .035 .002 |
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O42 .0907 .1558 .1100 .0471 .053 .040 .043 .012 .006 .017 |
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O43 .0942 -.3993 .1080 .0518 .055 .040 .055 .000 .007 -.002 |
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H29A .382 -.0128 -.097 .03 |
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H29B .445 .046 -.123 .08 |
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H30A .427 .203 -.140 .06 |
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H30B .393 .2615 -.118 .04 |
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H31A -.078 .266 .118 .04 |
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H31B -.128 .253 .057 .03 |
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H32A -.115 .040 .0563 .008 |
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H32B -.075 .025 .121 .02 |
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H33A -.358 .141 .041 .08 |
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H33B -.433 .163 .066 .17 |
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H34A .047 .120 .273 .03 |
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H34B .020 .191 .265 .05 |
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H35A -.337 .242 .224 .02 |
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H35B -.243 .244 .280 .018 |
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H36A -.278 .002 .218 .06 |
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H36B -.168 .009 .270 .11 |
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H37A -.062 .105 .396 .04 |
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H37B -.101 .123 .452 .08 |
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H38A -.510 .065 .226 -.009 |
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H38B -.560 .129 .236 .07 |
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H39A -.387 -.033 .409 .024 |
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H39B -.327 .019 .454 .10 |
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H40A -.355 .186 .447 .08 |
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H40B -.413 .235 .382 .09 |
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H41A .213 .088 .596 .12 |
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H41B .118 .126 .608 .12 |
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H42A .136 .120 .131 .008 |
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H42B .088 .167 .0647 .11 |
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H43A .064 -.440 .087 .33 |
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H43B .149 -.371 .129 .19 |
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View JMOL 3-D Structure (permalink)
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