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Phosphohedyphane |
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Kampf A R, Steele I M, Jenkins R A |
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American Mineralogist 91 (2006) 1909-1917 |
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Phosphohedyphane, Ca2Pb3(PO4)3Cl, the phosphate analogue of hedyphane: |
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Description and crystal structure |
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Locality: Capitana mine, Copiapo, Atacama Province, Chile |
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_database_code_amcsd 0004255 |
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9.857 9.857 7.130 90 90 120 P6_3/m |
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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 1/3 2/3 .0068 .919 .014 .014 .014 .015 .007 0 0 |
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Pb1 1/3 2/3 .0068 .081 .014 .014 .014 .015 .007 0 0 |
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Pb2 .2574 .0083 .25 .015 .010 .013 .020 .005 0 0 |
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P .4192 .3868 .25 .907 .010 .008 .007 .014 .004 0 0 |
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As .4192 .3868 .25 .093 .010 .008 .007 .014 .004 0 0 |
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O1 .3677 .5099 .25 .016 .015 .012 .025 .010 0 0 |
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O2 .6029 .4681 .25 .017 .005 .007 .038 .002 0 0 |
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O3 .3640 .2801 .0761 .026 .037 .025 .025 .022 -.020 -.013 |
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Cl 0 0 0 .017 .015 .015 .019 .008 0 0 |
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Markascherite |
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Yang H, Jenkins R A, Thompson R M, Downs R T, Evans S H, Bloch E M |
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American Mineralogist 97 (2012) 197-202 |
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Markascherite, Cu3(MoO4)(OH)4, a new mineral species polymorphic with szenicsite, |
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from Copper Creek, Pinal County, Arizona, U.S.A. |
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Locality: Copper Creek, Pinal County, Arizona, USA |
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_database_code_amcsd 0018649 |
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9.9904 5.9934 5.5255 90 97.428 90 P2_1/m |
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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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Cu1 -.00037 .25 -.00385 .0103 .0161 .0065 .0090 0 .0040 0 |
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Cu2 0 .5 .5 .0098 .0139 .0074 .0086 -.0001 .0039 .0009 |
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Cu3 .5 .5 0 .0130 .0125 .0114 .0163 -.0004 .0071 .0002 |
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Mo .32101 .25 .42366 .0098 .0092 .0107 .0099 0 .0022 0 |
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O1 .1432 .25 .3533 .0138 .011 .015 .015 0 .001 0 |
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O2 .3940 .25 .1365 .0153 .014 .016 .017 0 .008 0 |
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O3 .3636 .0137 .5975 .0210 .021 .020 .022 .0040 .000 .0073 |
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OH4 .1016 .75 .4040 .0126 .014 .009 .015 0 .001 0 |
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OH5 .3922 .75 .0855 .0159 .014 .018 .017 0 .007 0 |
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OH6 .0913 .5029 .8514 .0115 .011 .011 .013 -.0002 .003 .0011 |
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H1 .173 .75 .44 .03 |
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H2 .367 .75 .25 .03 |
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H3 .165 .516 .837 .03 |
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Rruffite |
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Yang H, Jenkins R A, Downs R T, Evans S H, Tait K T |
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The Canadian Mineralogist 49 (2011) 877-884 |
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Rruffite, Ca2Cu(AsO4)2*2H2O, a new member of the roselite group, from Tierra Amarilla, Chile |
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Locality: the Maria Catalina mine, Tierra Amarilla, Chile |
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_database_code_amcsd 0018388 |
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5.8618 12.7854 5.7025 90 109.425 90 P2_1/c |
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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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Ca .56418 .12303 .21155 .0100 .0089 .0094 .0119 -.0003 .0038 -.0010 |
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Cu 0 0 0 .0128 .0109 .0121 .0136 .0001 .0016 -.0044 |
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As .22626 .12128 .54652 .0080 .0074 .0076 .0084 .0002 .0019 -.0001 |
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O1 .2381 .0379 .3183 .0119 .0102 .0135 .0118 -.0006 .0032 -.0048 |
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O2 .3018 .0542 .8149 .0112 .0124 .0104 .0106 .0011 .0037 .0026 |
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O3 .9533 .1749 .4816 .0121 .0083 .0126 .0142 .0041 .0020 .0001 |
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O4 .4468 .2067 .5496 .0126 .0114 .0116 .0156 -.0049 .0056 -.0024 |
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O5 .8261 .1361 .9559 .0112 .0112 .0095 .0105 -.0009 .0004 -.0011 |
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H1 .731 .141 .855 .04 |
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H2 .897 .197 .983 .04 |
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Vladimirite |
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Yang H, Evans S H, Downs R T, Jenkins R A |
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The Canadian Mineralogist 49 (2011) 1055-1064 |
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The crystal structure of vladimirite, with a revised chemical formula, |
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Ca4(AsO4)2(AsO3OH)*4H2O |
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Note: Sample R080001 |
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Locality: Corbriza mine, Copiapo, Chile |
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_database_code_amcsd 0018559 |
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5.8220 10.1750 22.8816 90 96.902 90 P2_1/c |
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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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Ca1 .67088 .72608 .00248 .00893 .00654 .01062 .00963 -.00001 .00103 -.00118 |
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Ca2 .00529 .85202 .14095 .00889 .00690 .00970 .01001 .00056 .00078 .00104 |
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Ca3 .88886 .32106 .10693 .01121 .00979 .01398 .01017 .00279 .00253 .00264 |
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Ca4 .43349 .36413 .24541 .01008 .00709 .01097 .01175 .00064 -.00073 -.00002 |
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As1 .86863 .54832 .21400 .00729 .00611 .00729 .00828 .00042 .00008 .00038 |
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As2 .54073 .00136 .09702 .00745 .00565 .00761 .00909 .00072 .00094 .00070 |
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As3 .23069 .58485 .04961 .00716 .00516 .00790 .00833 .00013 .00049 .00003 |
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O1 .85658 .71403 .21263 .01023 .00959 .00764 .01368 .00062 .00233 .00126 |
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O2 .13252 .49711 .20182 .01385 .00705 .01508 .02015 .00536 .00464 .00379 |
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O3 .67395 .48099 .16103 .01427 .01296 .01092 .01658 .00070 -.00784 -.00169 |
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O4 .79234 .49182 .27806 .01141 .01077 .01298 .01130 -.00102 .00463 .00240 |
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O5 .54373 .16439 .08186 .00971 .00751 .00777 .01376 .00060 .00085 .00192 |
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O6 .26566 .95039 .08639 .01264 .00269 .01639 .01848 -.00205 -.00026 .00322 |
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O7 .66445 .97783 .16753 .01163 .00952 .01435 .01044 .00136 -.00116 .00165 |
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O8 .71454 .91481 .05847 .01198 .00825 .01385 .01412 .00369 .00252 -.00391 |
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O9 .69988 .38575 .01794 .01269 .00996 .02010 .00800 -.00017 .00108 .00210 |
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O10 .01310 .67449 .06963 .01182 .00829 .01333 .01399 .00317 .00198 -.00315 |
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O11 .19683 .42550 .06268 .01205 .01387 .00649 .01675 -.00123 .00574 .00016 |
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O12H .48805 .63941 .08875 .00922 .00244 .01249 .01181 -.00189 -.00294 .00081 |
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OW1 .02292 .15298 .04195 .01346 .00923 .01358 .01709 .00045 -.00041 .00017 |
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OW2 .25242 .22770 .16284 .01312 .01416 .01275 .01323 .00049 .00490 -.00044 |
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OW3 .76927 .22847 .19861 .01419 .01526 .01218 .01393 -.00035 -.00315 .00083 |
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OW4 .65734 .22946 .31531 .01232 .01160 .01349 .01234 .00084 .00337 .00171 |
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H1 -.06777 .14716 .01838 .03 |
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H2 .07965 .07778 .05729 .03 |
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H3 .22120 .15586 .17657 .03 |
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H4 .32656 .22304 .14200 .03 |
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H5 .74762 .15182 .19028 .03 |
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H6 .87710 .23515 .22272 .03 |
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H7 .71229 .17020 .30609 .03 |
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H8 .59319 .21274 .34230 .03 |
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H9 .56958 .55717 .12278 .03 |
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Vladimirite |
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Yang H, Evans S H, Downs R T, Jenkins R A |
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The Canadian Mineralogist 49 (2011) 1055-1064 |
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The crystal structure of vladimirite, with a revised chemical formula, |
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Ca4(AsO4)2(AsO3OH)*4H2O |
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Note: Sample R100075 |
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Locality: Ait Ahmane vein No. 53, Bou Azzer district, Morroco |
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_database_code_amcsd 0018560 |
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5.8279 10.1802 22.8944 90 96.943 90 P2_1/c |
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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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Ca1 .67087 .72601 .00250 .00903 .00882 .00966 .00864 .00006 .00125 -.00106 |
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Ca2 .00525 .85202 .14094 .00875 .00836 .00887 .00906 .00049 .00118 .00124 |
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Ca3 .88901 .32115 .10694 .01124 .01197 .01279 .00938 .00266 .00304 .00243 |
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Ca4 .43361 .36411 .24537 .01010 .00955 .00960 .01072 .00046 -.00053 -.00027 |
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As1 .86851 .54829 .21401 .00704 .00763 .00608 .00729 .00056 .00047 .00042 |
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As2 .54070 .00128 .09702 .00733 .00710 .00670 .00827 .00058 .00131 .00061 |
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As3 .23074 .58486 .04956 .00718 .00697 .00703 .00756 .00015 .00098 .00005 |
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O1 .85631 .71384 .21273 .00963 .01140 .00654 .01124 .00033 .00247 .00046 |
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O2 .13205 .49715 .20166 .01402 .01181 .01405 .01715 .00569 .00558 .00367 |
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O3 .67374 .48109 .16106 .01463 .01797 .00999 .01391 .00017 -.00629 -.00084 |
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O4 .79173 .49184 .27804 .01209 .01493 .01168 .01037 -.00084 .00439 .00206 |
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O5 .54435 .16434 .08188 .01032 .01235 .00710 .01132 .00060 .00063 .00165 |
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O6 .26501 .95021 .08624 .01336 .00791 .01457 .01750 -.00265 .00110 .00411 |
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O7 .66427 .97778 .16747 .01169 .01365 .01214 .00898 .00176 .00012 .00309 |
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O8 .71472 .91483 .05839 .01199 .01243 .01104 .01297 .00236 .00340 -.00388 |
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O9 .69994 .38580 .01805 .01284 .01128 .02017 .00711 .00027 .00132 .00239 |
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O10 .01321 .67453 .06959 .01142 .00852 .01221 .01314 .00288 -.00028 -.00260 |
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O11 .19637 .42536 .06268 .01108 .01422 .00575 .01404 -.00124 .00486 -.00080 |
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O12H .48847 .63978 .08884 .01012 .00829 .01136 .00999 -.00007 -.00179 .00156 |
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OW1 .02305 .15367 .04187 .01396 .01170 .01021 .01975 .00151 .00102 .00149 |
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OW2 .25261 .22762 .16275 .01270 .01489 .01237 .01157 .00121 .00455 .00025 |
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OW3 .76957 .22834 .19865 .01400 .01582 .01297 .01210 -.00143 -.00282 .00021 |
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OW4 .65792 .22953 .31522 .01189 .01217 .01176 .01221 .00085 .00339 .00146 |
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H1 -.07100 .13772 .01910 .03 |
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H2 .08161 .08131 .05382 .03 |
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H3 .23135 .15423 .17793 .03 |
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H4 .34081 .21940 .13845 .03 |
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H5 .74002 .14615 .19077 .03 |
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H6 .86932 .23422 .22131 .03 |
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H7 .70746 .15775 .30747 .03 |
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H8 .60468 .21025 .34196 .03 |
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H9 .56736 .57309 .11828 .03 |
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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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Conichalcite |
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Henderson R R, Yang H, Downs R T, Jenkins R A |
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Acta Crystallographica E64 (2008) i53-i54 |
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Redetermination of conichalcite, CaCu(AsO4)(OH) |
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Locality: Maria Catalina mine, Tierra Amarilla, Chile |
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_database_code_amcsd 0010485 |
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7.3822 5.8146 9.2136 90 90 90 P2_12_12_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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Ca .61727 .72961 .07340 .01133 .01169 .0119 .01041 -.00064 -.00072 .00020 |
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Cu -.00416 -.00002 .25029 .00898 .00885 .00621 .01190 .00029 .00211 -.00121 |
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As .36728 .26438 .08118 .00768 .00801 .00659 .00845 .00006 .00059 .00014 |
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O1 .18844 .2450 .19847 .0135 .0141 .0107 .0157 -.0025 .0035 -.0006 |
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O2 .5395 .3313 .19256 .0187 .0146 .0212 .0205 -.0029 -.0048 .0004 |
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O3 .3514 .4927 -.02947 .0157 .0201 .0107 .0164 .0011 .0044 .0035 |
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O4 .3885 .0147 -.00782 .0145 .0181 .0096 .0158 .0018 .0022 -.0018 |
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O5 -.13880 .2539 .31777 .0113 .0106 .0102 .0132 .0000 .0002 -.0003 |
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H -.229 .232 .260 .055 |
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Anorpiment |
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Kampf A R, Downs R T, Housley R M, Jenkins R A, Hyrsl J |
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Mineralogical Magazine 75 (2011) 2857-2867 |
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Anorpiment, As2S3, the triclinic dimorph of orpiment |
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Locality: Palomo mine, Castrovirreyna Province, Huancavelica Department, Peru |
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_database_code_amcsd 0018526 |
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5.7577 8.7169 10.2682 78.152 75.817 89.861 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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As1 .39108 .36238 .67225 .02442 .0243 .0206 .0277 -.00155 -.00473 -.00577 |
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As2 .81064 .17527 .83715 .02433 .0265 .0212 .0283 .00289 -.00749 -.01095 |
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As3 .37392 .67873 .83354 .02455 .0268 .0210 .0286 .00398 -.00738 -.01117 |
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As4 .93519 .86377 .66860 .02401 .0267 .0201 .0271 .00446 -.00934 -.00593 |
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S1 .90075 .92003 .87870 .0284 .0382 .0220 .0268 .0064 -.0107 -.0060 |
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S2 .49936 .11754 .75544 .0304 .0245 .0219 .0492 .0035 -.0131 -.0124 |
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S3 .75475 .61916 .74806 .0300 .0239 .0211 .0484 .0032 -.0105 -.0133 |
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S4 .05571 .27458 .62594 .0271 .0284 .0279 .0273 .0003 -.0102 -.0070 |
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S5 .31075 .77483 .62295 .0275 .0245 .0290 .0283 .0037 -.0047 -.0065 |
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S6 .24319 .42417 .88062 .0290 .0358 .0232 .0264 -.0036 -.0044 -.0058 |
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