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Ruitenbergite |
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Grice J D, Burns P C, Hawthorne F C |
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The Canadian Mineralogist 32 (1994) 1-14 |
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Determination of the megastructures of the borate polymorphs pringleite and |
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ruitenbergite |
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19.857 9.708 17.522 90 114.68 90 P2_1 |
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atom x y z Uiso |
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Ca1 .0907 .3479 .0173 .12 |
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Ca2 .0918 .5478 .3208 .15 |
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Ca3 .4139 .5599 .2336 .18 |
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Ca4 .4083 .7729 .4281 .11 |
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Ca1s .0891 .3394 .5129 .14 |
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Ca2s .0962 .5451 .8271 .13 |
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Ca3s .4125 .5695 .7345 .14 |
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Ca4s .4064 .7617 .9296 .16 |
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Ca5s .2142 .9425 .9715 .19 |
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B1 .5425 .0055 .4378 .12 |
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B2 .0567 .6242 .1122 .10 |
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B3 .2518 .5985 .2760 .15 |
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B4 .5499 .3440 .3603 .10 |
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B5 .0397 .2741 .1856 .10 |
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B6 .2598 .4968 .0234 .10 |
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B7 -.0087 .7641 .1877 .10 |
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B8 .1406 .4438 .1987 .10 |
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B9 .3518 .6794 .0508 .10 |
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B10 .5035 .5020 .4588 .11 |
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B11 .5209 .3652 .2143 .15 |
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B12 .2515 .6832 .4101 0 |
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B13 -.0115 .1358 .0389 .24 |
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B1s .5360 .9902 .9248 .10 |
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B2s .0519 .6352 .6135 .11 |
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B3s .2499 .5817 .7801 .10 |
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B4s .5629 .3627 .8624 .10 |
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B5s .0465 .2526 .6812 .09 |
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B6s .2538 .4902 .5072 .17 |
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B7s .0020 .7672 .7050 .10 |
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B8s .1398 .4431 .6858 .11 |
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B9s .3561 .6523 .5579 .05 |
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B10s .5029 .5047 .9464 .10 |
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B11s .5010 .3459 .6986 .10 |
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B12s .2506 .6678 .9136 .12 |
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B13s -.0098 .1156 .5502 .10 |
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O1 .3198 .5673 .0787 .29 |
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O2 .5053 .9375 .4751 .00 |
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O3 .1061 .5200 .1185 .00 |
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O4 .0064 .7282 .2731 .07 |
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O5 .5225 .4252 .2928 .41 |
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O6 .3096 .7394 .4868 .26 |
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O7 .1869 .5368 .2677 .27 |
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O8 .4057 .6058 .0304 .00 |
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O9 .0897 .3699 .2270 .00 |
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O10 .3979 .7344 .1335 .00 |
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O11 .4528 .8910 .0664 .00 |
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O12 .2226 .5559 .4296 .80 |
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O13 .0473 .2337 .1149 .03 |
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O14 .0396 .6599 .1775 .30 |
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O15 .0143 .6842 .0361 .00 |
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O16 .4723 .4408 .1373 .15 |
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O17 .2883 .6625 .3532 .00 |
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OH1 .1837 .3587 .1666 .96 |
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OH2 .0689 .2797 .3751 .07 |
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OH3 -.0409 .4945 .4248 .64 |
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OH4 .4391 .5269 .3804 .16 |
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OH5 .0808 .5795 .4518 .00 |
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OH6 .4128 .8277 .2984 .00 |
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OH7 .1831 .7627 .3754 .71 |
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OH8 .5353 .6380 .4587 .00 |
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OH9 .2835 .5674 .2197 .00 |
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OH10 .5316 .7078 .3071 .06 |
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OH11 .2270 .3774 .0344 .80 |
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OH12 -.0231 .4065 .2975 .73 |
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O1s .3117 .5435 .5748 .00 |
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O2s .4931 .9518 .9644 .22 |
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O3s .0865 .5191 .6117 .13 |
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O4s -.0155 .6988 .7704 .00 |
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O5s .5214 .4070 .7818 .00 |
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O6s .2981 .7519 .9857 .00 |
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O7s .1828 .5251 .7582 .00 |
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O8s .5859 .1058 .4820 .35 |
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O9s .1001 .3506 .7179 .47 |
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O10s .3898 .7569 .6245 .24 |
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O11s .4354 .9077 .5620 .67 |
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O12s .2337 .5351 .9393 .00 |
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O13s .0290 .2198 .5993 .00 |
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O14s .0495 .6743 .6845 .00 |
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O15s .0069 .6754 .5362 .51 |
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O16s .4687 .4717 .6515 .00 |
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O17s .2862 .6267 .8586 .85 |
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OH1s .1860 .3446 .6658 .00 |
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OH2s .0831 .3026 .8701 .04 |
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OH3s -.0206 .4827 .9504 .00 |
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OH4s .4260 .5137 .8787 .00 |
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OH5s .0823 .6231 .9520 .10 |
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OH6s .4009 .8383 .7884 .57 |
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OH7s .1815 .7462 .8707 .00 |
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OH8s .5446 .6331 .9715 1.00 |
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OH9s .2928 .5955 .7370 .03 |
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OH10s .5170 .7317 .8073 .00 |
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OH11s .2213 .3867 .5313 .00 |
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OH12s -.0292 .4168 .7818 .00 |
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Cl1 .1740 .0636 .3573 .50 |
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Cl2 .1898 .9585 .2107 .42 |
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Cl3s .3327 .2716 .8780 .32 |
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Cl4s .2893 .0715 .7218 .34 |
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Wat2 .3496 .3358 .1929 .21 |
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Wat3 .1432 .1029 .0326 .02 |
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Wat5 .3341 .9819 .4044 .45 |
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Wat7 .2038 .7854 .0724 .09 |
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Wat10 .3032 .3108 .3685 .53 |
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Wat1s .1855 .1212 .8709 .33 |
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Wat2s .3651 .3105 .7235 .51 |
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Wat3s .1670 .1211 .5487 .22 |
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Wat5s .3329 .9692 -.1264 .38 |
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Wat6s .3144 .0706 .5607 .12 |
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Wat7s .1853 .7788 .5462 .41 |
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Wat8s .0809 .9397 .9001 .25 |
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Wat9s .1684 .8515 .7069 .30 |
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