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Bobdownsite |
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Tait K T, Barkley M C, Thompson R M, Origlieri M J, Evans S H, Prewitt C T, Yang H |
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The Canadian Mineralogist 49 (2011) 1065-1078 |
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Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, |
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and its structural relationship with whitlockite-type compounds |
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Sample number R050109 |
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Locality: Big Fish River, Yukon Territory, Canada |
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_database_code_amcsd 0018921 |
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10.3224 10.3224 37.0700 90 90 120 R3c |
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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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Ca1 .29204 .15618 .67232 .92 .01975 .03511 .01763 .01520 .01971 -.01113 -.00810 |
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Na1 .29204 .15618 .67232 .08 .01975 .03511 .01763 .01520 .01971 -.01113 -.00810 |
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Ca2 .28036 .14639 .56518 .00958 .01052 .00967 .00938 .00568 -.00060 -.00144 |
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Ca3 .38693 .17961 .76766 .01023 .01158 .00933 .00965 .00513 -.00211 -.00056 |
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Mg 0 0 -.00027 .72 .00926 .00932 .00932 .00915 .00466 0 0 |
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Fe3+ 0 0 -.00027 .13 .00926 .00932 .00932 .00915 .00466 0 0 |
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Al 0 0 -.00027 .11 .00926 .00932 .00932 .00915 .00466 0 0 |
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Fe2+ 0 0 -.00027 .04 .00926 .00932 .00932 .00915 .00466 0 0 |
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P1A 0 0 .75327 .85 .01079 .00859 .00859 .01519 .00429 0 0 |
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P1B 0 0 .73224 .15 .00310 .00424 .00424 .00082 .00212 0 0 |
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P2 .31741 .14328 .86398 .00838 .00923 .00889 .00802 .00528 -.00002 .00048 |
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P3 .35016 .15739 .96736 .00808 .00866 .00858 .00717 .00444 -.00007 .00039 |
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O1 .27457 .09214 .82483 .01685 .02334 .02027 .00918 .01258 .00063 -.00010 |
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O2 .24800 .23372 .87773 .01460 .01738 .01953 .01381 .01442 .00189 .00041 |
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O3 .27343 .00192 .88653 .01074 .01110 .00819 .00999 .00262 .00214 .00158 |
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O4 .48946 .24182 .86809 .01222 .00775 .00834 .01814 .00219 .00216 .00141 |
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O5 .40343 .19661 .00672 .01499 .02395 .01651 .00755 .01240 -.00328 -.00191 |
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O6 .39835 .04735 .95383 .01252 .01311 .01586 .01183 .00968 -.00188 -.00272 |
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O7 .41548 .30324 .94638 .01468 .01650 .01236 .01213 .00494 .00229 .00501 |
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O8 .17792 .07889 .96373 .01169 .00861 .01090 .01411 .00380 -.00017 .00024 |
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O9 -.01911 .12994 .74208 .01860 .01781 .01342 .02749 .00999 .00844 .00417 |
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F1A 0 0 .79710 .85 .04092 .03719 .03719 .04838 .01860 0 0 |
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F1B 0 0 .68929 .15 .01688 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
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Bobdownsite |
|
Tait K T, Barkley M C, Thompson R M, Origlieri M J, Evans S H, Prewitt C T, Yang H |
|
The Canadian Mineralogist 49 (2011) 1065-1078 |
|
Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, |
|
and its structural relationship with whitlockite-type compounds |
|
Sample number R070654 |
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Locality: Tip Top mine, South Dakota, USA |
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_database_code_amcsd 0018922 |
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10.3394 10.3394 37.0836 90 90 120 R3c |
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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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Ca1 .29139 .15560 .67238 .02147 .03703 .01956 .01715 .02116 -.01176 -.00842 |
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Ca2 .28027 .14660 .56521 .01020 .01097 .01029 .01016 .00593 -.00061 -.00140 |
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Ca3 .38790 .18026 .76766 .01073 .01209 .00913 .01070 .00510 -.00259 -.00070 |
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Mg 0 0 -.00029 .96 .01249 .01252 .01252 .01243 .00626 0 0 |
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Al 0 0 -.00029 .04 .01249 .01252 .01252 .01243 .00626 0 0 |
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P1A 0 0 .75328 .81 .01100 .00840 .00840 .01621 .00420 0 0 |
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P1B 0 0 .73141 .16 .00938 .01074 .01074 .00667 .00537 0 0 |
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P2 .31797 .14350 .86408 .00896 .00915 .00936 .00915 .00521 .00044 .00073 |
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P3 .35050 .15790 .96726 .00905 .00874 .00979 .00828 .00439 .00021 .00074 |
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O1 .27505 .09304 .82489 .01846 .02380 .02091 .01092 .01135 -.00044 -.00017 |
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O2 .24781 .23355 .87747 .01510 .01753 .01909 .01519 .01403 .00250 .00070 |
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O3 .27316 .00185 .88617 .01185 .01122 .00976 .01197 .00331 .00188 .00224 |
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O4 .48916 .24185 .86830 .01220 .00818 .00880 .01811 .00310 .00257 .00179 |
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O5 .40357 .19701 .00671 .01662 .02488 .01931 .00850 .01316 -.00182 -.00105 |
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O6 .39911 .04845 .95381 .01399 .01460 .01805 .01320 .01109 -.00099 -.00180 |
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O7 .41528 .30367 .94631 .01594 .01513 .01249 .01589 .00367 .00007 .00322 |
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O8 .17901 .07881 .96363 .01181 .00827 .01062 .01572 .00412 .00081 .00022 |
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F9 0 0 .79715 .84 .04541 .04343 .04343 .04937 .02171 0 0 |
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OH9 0 0 .79715 .16 .04541 .04343 .04343 .04937 .02171 0 0 |
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O10 -.02014 .12977 .74149 .01912 .01766 .01132 .02970 .00825 .00700 .00498 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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