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Tvalchrelidzeite |
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Yang H, Downs R T, Costin G, Eichler C M |
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The Canadian Mineralogist 45 (2007) 1529-1533 |
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The crystal structure of tvalchrelidzeite, Hg3SbAsS3, and a revision of its |
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chemical formula |
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Locality: Gomi deposit, Rioni River Valley, Caucacus Mountains, Georgia |
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_database_code_amcsd 0006159 |
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11.5526 4.3852 15.6373 90 91.845 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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Hg1 .61911 .36405 .31860 .0224 .0142 .0288 .0240 .0018 -.0016 -.0030 |
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Hg2 .36925 .72983 .42456 .0209 .0213 .0232 .0185 .0022 .0032 -.0054 |
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Hg3 .39099 .71836 .18764 .0221 .0274 .0237 .0149 .0020 -.0022 .0052 |
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Sb .85759 .81322 .44887 .0135 .0133 .0143 .0129 -.0001 -.0006 -.0004 |
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As .4033 .3522 .3077 .0145 .0152 .0139 .0143 -.0007 .0002 -.0001 |
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S1 .8268 .4521 .3312 .0162 .0151 .0210 .0124 .0001 .0007 -.0019 |
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S2 .3534 .1061 .5368 .0162 .0144 .0175 .0167 .0005 .0008 -.0020 |
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S3 .3805 .0639 .0689 .0156 .0165 .0178 .0123 -.0018 -.0005 .0013 |
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Fizelyite |
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Yang H, Downs R T, Burt J B, Costin G |
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The Canadian Mineralogist 47 (2009) 1257-1264 |
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Structure refinement of an untwinned single crystal of Ag-excess fizelyite, |
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Ag5.94Pb13.74Sb20.84S48 |
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Locality: Van Silver mine, Squamish, British Columbia, Canada |
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_database_code_amcsd 0006307 |
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19.2767 13.2345 8.7230 90 90.401 90 P2_1/n |
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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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Pb1 .25336 .90335 .39489 .03218 .03363 .03376 .02918 -.00773 .00202 -.00293 |
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Pb2 .25021 .91738 -.09877 .03155 .03316 .02741 .03401 -.00215 -.00364 .00198 |
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PbM1 .04887 .88423 .63069 .880 .02493 .02451 .02613 .02414 .00108 -.00147 -.00081 |
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SbM1A .04887 .88423 .63069 .120 .02493 .02451 .02613 .02414 .00108 -.00147 -.00081 |
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PbM2 .12809 .14880 .11639 .556 .02370 .02483 .01881 .02749 .00054 .00214 -.00003 |
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SbM2A .12809 .14880 .11639 .095 .02370 .02483 .01881 .02749 .00054 .00214 -.00003 |
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AgM2B .11798 .15008 .05462 .330 .09790 .10607 .02085 .16729 -.00852 .03758 .01501 |
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Sb1 .34866 .12667 .64208 .02235 .02547 .02153 .02002 .00258 -.00127 .00073 |
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Sb2 .44284 .88187 .62540 .02223 .01866 .02095 .02703 -.00002 -.00363 .00087 |
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Sb3 .12784 .64666 .38066 .02162 .02210 .02009 .02266 -.00015 .00001 .00015 |
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Sb4 -.05363 .63074 .63687 .02269 .02175 .02430 .02198 -.00106 -.00151 -.00148 |
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Sb5 .05207 .87500 .14416 .02161 .02015 .02221 .02248 -.00328 .00023 .00136 |
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Ag1 .14372 .17987 -.39271 .755 .04637 .03757 .05093 .05059 .02238 -.00231 .01009 |
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Ag1B .13336 .16903 -.34655 .192 .02802 .01722 .02421 .04261 .00972 -.00172 -.01177 |
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Ag2 .17332 .11542 .33880 .209 .04046 .03250 .02228 .06699 -.01154 .02738 -.01545 |
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S1 .39464 .00414 -.16482 .02295 .02652 .02387 .01844 .00093 -.00093 -.00012 |
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S2 -.00030 .72559 .84772 .03224 .03281 .04091 .02299 -.01066 -.00048 -.00504 |
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S3 .23047 .04647 -.35532 .02388 .02212 .02285 .02664 .00538 -.00274 -.00133 |
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S4 .33643 .78508 .62657 .02409 .02311 .02370 .02543 -.00431 -.00148 .00414 |
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S5 .09962 .96916 .93084 .03017 .02782 .03657 .02607 -.01035 -.00319 .00649 |
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S6 .16607 .75761 .58753 .02259 .02099 .02423 .02255 -.00224 .00164 -.00006 |
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S7 .39728 .00309 .43327 .02244 .02552 .02419 .01761 -.00100 -.00037 .00214 |
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S8 -.01999 .75146 .43163 .02524 .02147 .03394 .02032 -.00031 -.00022 .00161 |
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S9 .25856 .06015 .13720 .02554 .02368 .02174 .03125 -.00530 .00284 -.00045 |
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S10 -.16860 .70588 .64858 .02635 .01687 .03400 .02820 -.00154 .00070 .00429 |
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S11 .08702 .99048 .34882 .02929 .03761 .02633 .02392 -.00053 -.00064 -.00351 |
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S12 .15766 .76730 .16853 .02366 .02469 .02470 .02158 -.00071 -.00048 .00194 |
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Tyrrellite |
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Yang H, Hubler D K, Lavina B, Downs R T, Costin G |
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Acta Crystallographica C63 (2007) i73-i74 |
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Tyrrellite, Cu(Co0.68Ni0.32)2Se4, isostructural with spinel |
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Locality: Eagle Claims, Beaverlodge Lake area, Saskatchewan, Canada |
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_database_code_amcsd 0010334 |
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9.98850 9.98850 9.98850 90 90 90 *Fd3m |
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0.125 0.125 0.125 |
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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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Cu .125 .125 .125 .01020 .01020 .01020 .01020 0 0 0 |
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Co .5 0 0 .68 .00624 .00624 .00624 .00624 -.00031 -.00031 -.00031 |
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Ni .5 0 0 .32 .00624 .00624 .00624 .00624 -.00031 -.00031 -.00031 |
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Se .26192 -.01192 -.01192 .00705 .00705 .00705 .00705 .00027 .00027 -.00027 |
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Isokite |
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Yang H, Zwick J, Downs R T, Costin G |
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Acta Crystallographica C63 (2007) i89-i90 |
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Isokite, CaMg(PO4)F0.8(OH)0.2, isomorphous with titanite |
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Locality: Kjorrestad, near Bamle, Norway |
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_database_code_amcsd 0010337 |
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6.5109 8.7301 6.9046 90 112.246 90 C2/c |
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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 .5 0 .5 .00979 .0105 .0103 .0089 -.0001 .0041 .0013 |
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Ca .5 .33652 .25 .01762 .0107 .0083 .0276 .000 .0003 .000 |
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P 0 .17921 .25 .00759 .0066 .0073 .0088 .000 .0029 .000 |
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O1 .1091 .28009 .1325 .0107 .0105 .0102 .0128 .0004 .0058 .0023 |
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O2 .1690 .07291 .4092 .0116 .0095 .0106 .0128 -.0001 .0023 .0022 |
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F .5 .08302 .25 .80 .0110 .0147 .0098 .0094 .000 .0053 .000 |
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OH .5 .08302 .25 .20 .0110 .0147 .0098 .0094 .000 .0053 .000 |
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Kolbeckite |
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Yang H, Li C, Jenkins R A, Downs R T, Costin G |
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Acta Crystallographica C63 (2007) i91-i92 |
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Kolbeckite, ScPO4*2H2O, isomorphous with metavariscite |
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Locality: Hot Springs County, Arkansas, USA |
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_database_code_amcsd 0010338 |
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5.4258 10.2027 8.9074 90 90.502 90 P2_1/n |
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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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Sc .41180 .33384 .29797 .94 .01235 .01037 .01073 .01594 .00000 .00024 -.00057 |
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V .41180 .33384 .29797 .03 .01235 .01037 .01073 .01594 .00000 .00024 -.00057 |
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Fe .41180 .33384 .29797 .02 .01235 .01037 .01073 .01594 .00000 .00024 -.00057 |
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Al .41180 .33384 .29797 .01 .01235 .01037 .01073 .01594 .00000 .00024 -.00057 |
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P -.08648 .15360 .17938 .01197 .01036 .01061 .01494 .00055 .00074 -.00022 |
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O1 .16573 .18718 .24833 .02099 .01207 .01509 .03573 -.00046 -.00409 -.00584 |
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O2 -.10604 .20645 .02028 .02537 .04097 .01995 .01522 .00354 .00152 .00167 |
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O3 -.28691 .21526 .27535 .01868 .01642 .01808 .02163 .00463 .00473 .00065 |
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O4 -.11366 .00430 .18163 .01702 .01328 .01151 .02627 .00016 -.00049 .00057 |
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O5 .10392 .46097 .29539 .04840 .01217 .01524 .11783 .00175 .00291 .00654 |
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O6 .43332 .36350 .05529 .03985 .04760 .05120 .02070 -.00914 -.00298 -.00224 |
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H1 -.02758 .46121 .28771 .02066 |
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H2 .15760 .53565 .27518 .05383 |
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H3 .31004 .32961 -.01456 .04282 |
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H4 .34954 .40089 .06978 .00001 |
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Iranite |
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Yang H, Sano J L, Eichler C, Downs R T, Costin G |
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Acta Crystallographica C63 (2007) i122-i124 |
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Iranite, CuPb10(CrO4)6(SiO4)2(OH)2, isomorphous with hemihedrite |
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Locality: Chapacase mine, Sierra Cerillos district, Tocopilla, Chile |
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_database_code_amcsd 0010340 |
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9.5416 11.3992 10.7465 120.472 92.470 55.531 P-1 |
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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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Cu 0 .5 0 .0073 .0094 .0051 .0061 -.0042 -.0025 .0030 |
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Pb1 .25932 .10817 .26084 .01674 .01577 .01461 .01353 -.00899 -.00408 .00552 |
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Pb2 .26267 .08803 .65782 .01224 .01004 .01029 .01122 -.00534 -.00213 .00470 |
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Pb3 .92955 .24266 .02886 .01330 .01343 .01210 .01257 -.00789 -.00281 .00636 |
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Pb4 .73129 .41520 .74861 .01951 .02207 .02192 .02042 -.01419 -.01093 .01546 |
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Pb5 .31800 .45125 .53230 .01563 .01874 .02070 .01581 -.01476 -.01030 .01279 |
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Cr1 .95691 .07568 .35431 .0129 .0137 .0133 .0116 -.0101 -.0042 .0054 |
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Cr2 .56240 .17381 .15417 .0085 .0070 .0062 .0077 -.0024 -.0009 .0036 |
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Cr3 .45357 .32313 .83512 .0094 .0085 .0096 .0107 -.0059 -.0035 .0061 |
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Si .0238 .4530 .66184 .0016 .0025 .0026 .0022 -.0010 -.0011 .0018 |
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O1 .7526 .2258 .4793 .0273 .021 .021 .023 -.014 .001 .003 |
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O2 .1016 .0791 .4400 .0241 .029 .026 .027 -.022 -.022 .016 |
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O3 .9960 .1191 .7373 .0179 .019 .017 .015 -.014 -.004 .005 |
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O4 .9711 .1113 .2286 .0276 .030 .038 .037 -.025 -.017 .031 |
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O5 .5094 .1359 .2693 .0157 .016 .016 .016 -.010 -.003 .010 |
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O6 .4274 .2011 .0550 .0239 .021 .031 .019 -.016 -.012 .015 |
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O7 .7703 .0099 .0328 .0166 .011 .013 .014 -.001 .002 .007 |
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O8 .5351 .3564 .2680 .0193 .019 .017 .026 -.012 -.008 .014 |
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O9 .6089 .2855 .9127 .0239 .018 .028 .027 -.013 -.016 .019 |
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O10 .4636 .3961 .7413 .0255 .037 .033 .027 -.027 -.013 .022 |
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O11 .2494 .4823 .9729 .0159 .014 .010 .014 -.005 .000 .004 |
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O12 .4831 .1376 .7178 .0165 .012 .012 .020 -.008 -.006 .006 |
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O13 .2111 .3011 .5135 .0129 .010 .011 .010 -.006 .001 .003 |
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O14 .0385 .3927 .7755 .0104 .013 .008 .006 -.004 -.0009 .005 |
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O15 .9898 .3729 .2577 .0148 .024 .012 .011 -.012 -.005 .007 |
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O16 .8491 .4798 .6138 .0146 .016 .016 .017 -.009 -.010 .013 |
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OH .1390 .2594 .9361 .0097 .012 .005 .007 -.004 -.0003 .0022 |
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Goethite |
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Yang H, Lu R, Downs R T, Costin G |
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Acta Crystallographica E62 (2006) i250-i252 |
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Goethite, alpha-FeO(OH), from single-crystal data |
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Locality: Park County, Colorado, USA |
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_database_code_amcsd 0010471 |
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4.5979 9.9510 3.0178 90 90 90 Pbnm |
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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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Fe .04892 .85366 .25 .00588 .00664 .00537 .00565 .00004 0 0 |
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O1 .70569 .19914 .25 .00716 .00710 .00727 .00712 .00201 0 0 |
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Oh2 .19871 .05298 .25 .00738 .00687 .00643 .00886 -.00042 0 0 |
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H .37813 .08170 .25 .01942 |
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Cobaltaustinite |
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Yang H, Costin G, Keogh J, Lu R, Downs R T |
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Acta Crystallographica E63 (2007) i53-i55 |
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Cobaltaustinite, CaCo(AsO4)(OH) |
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Locality: Dome Rock, Mingary, South Australia, Australia |
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_database_code_amcsd 0010473 |
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7.4919 8.9946 5.9158 90 90 90 P2_12_12_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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Ca .62941 .32886 .5223 .0166 .0151 .0150 .0197 .0010 -.0007 -.0009 |
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Co .25814 .50516 .2547 .95 .0145 .0131 .0157 .0149 -.0005 .0009 .0013 |
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Cu .25814 .50516 .2547 .05 .0145 .0131 .0157 .0149 -.0005 .0009 .0013 |
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As .62045 .67900 .48441 .0143 .0119 .0139 .0172 -.0003 .0001 -.0001 |
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O1 .4433 .5613 .5088 .0210 .019 .022 .022 -.0043 -.001 -.008 |
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O2 .7125 .4364 .9121 .0247 .021 .027 .027 .006 -.004 -.002 |
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O3 .3521 .2695 .7673 .0181 .018 .018 .018 .000 -.001 .0021 |
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O4 .3975 .2945 .2403 .0223 .026 .018 .022 -.001 -.009 .001 |
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O5 .3956 .5740 .9944 .0218 .017 .026 .023 .0006 -.004 .001 |
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H .504 .506 .990 .06 |
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Wilkinsonite |
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Burt J B, Downs R T, Costin G |
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Acta Crystallographica E63 (2007) i122-i124 |
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Single-crystal X-ray refinement of wilkinsonite, Na2Fe2+4Fe3+2Si6O20. |
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Locality: Warrumbungle Volcano, central New South Wales, Australia |
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_database_code_amcsd 0010476 |
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10.3355 10.7847 8.9142 105.048 96.461 125.302 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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Na1 .21036 .63125 .38834 .01308 .01321 .01409 .01308 .00920 .00318 .00594 |
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Na2 .66109 .61279 .37244 .01558 .01086 .01320 .01675 .00442 .00296 .00733 |
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Fe1 0 0 .5 .5 .00893 .00765 .00758 .01054 .00497 .00108 .00270 |
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Fe2 0 .5 0 .5 .00792 .00626 .00853 .00711 .00417 .00190 .00219 |
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Fe3 .31905 .85202 .17897 .00742 .00687 .00730 .00832 .00475 .00202 .00296 |
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Fe4 .76728 .82004 .15109 .00742 .00679 .00778 .00715 .00459 .00230 .00234 |
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Fe5 .09363 .93553 .05864 .01104 .00914 .01221 .01226 .00646 .00323 .00645 |
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Fe6 .59487 .94132 .06557 .00708 .00779 .00659 .00733 .00437 .00305 .00366 |
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Fe7 .99381 .73633 .26446 .00706 .00583 .00704 .00751 .00423 .00170 .00166 |
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Si1 .47856 .23504 .33068 .00584 .00534 .00565 .00726 .00345 .00262 .00339 |
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Si2 .98595 .23337 .34225 .00495 .00550 .00606 .00513 .00425 .00258 .00275 |
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Si3 .79150 .33856 .24104 .00509 .00492 .00506 .00563 .00320 .00198 .00240 |
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Si4 .72159 .66157 .77590 .00559 .00542 .00580 .00606 .00384 .00170 .00235 |
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Si5 .64857 .94629 .44736 .00608 .00587 .00739 .00602 .00434 .00228 .00352 |
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Si6 .35235 .55640 .04592 .00539 .00472 .00398 .00566 .00217 .00119 .00130 |
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O1 .35818 .06889 .16487 .00790 .00911 .00842 .00716 .00623 .00296 .00253 |
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O2 .86095 .06772 .17513 .00799 .00704 .00920 .00911 .00578 .00366 .00338 |
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O3 .55580 .95318 .29564 .00787 .00448 .00930 .00941 .00387 .00272 .00433 |
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O4 .01485 .93349 .27479 .00762 .00610 .00878 .00816 .00468 .00199 .00385 |
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O5 .24029 .87626 .39573 .00945 .01098 .00804 .01162 .00728 .00554 .00284 |
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O6 .75486 .88351 .39477 .00751 .00727 .00750 .00906 .00534 .00282 .00323 |
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O7 .50726 .80265 .50559 .00809 .00560 .00841 .00810 .00317 .00228 .00380 |
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O8 .95777 .78451 .49264 .00658 .00526 .00806 .00804 .00466 .00229 .00415 |
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O9 .89916 .32134 .37379 .00739 .00841 .00935 .00840 .00721 .00298 .00450 |
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O10 .59320 .66083 .64779 .00691 .00778 .00802 .00535 .00540 .00270 .00196 |
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O11 .33560 .82749 .92558 .00777 .00503 .00576 .00752 .00210 -.00067 .00072 |
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O12 .84312 .83177 .93604 .00788 .00332 .00772 .00847 .00214 .00076 .00189 |
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O13 .52551 .71191 .03936 .00860 .00782 .00853 .00988 .00496 .00362 .00453 |
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O14 .06659 .72728 .06868 .00815 .00958 .00689 .00795 .00491 .00272 .00382 |
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O15 .24054 .60582 .11124 .00724 .00785 .00853 .00698 .00686 .00162 .00119 |
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O16 .74816 .60204 .12861 .00747 .00584 .00878 .00792 .00526 .00065 .00255 |
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O17 .59950 .50029 .81427 .00792 .00773 .00950 .01125 .00725 .00310 .00562 |
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O18 .93448 .50527 .21937 .00944 .00638 .00991 .00954 .00388 .00306 .00382 |
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O19 .83356 .63351 .68068 .00757 .00620 .00462 .00978 .00233 .00378 .00249 |
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O20 .67365 .36341 .33607 .00814 .00798 .00711 .00905 .00485 .00347 .00240 |
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