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Uchucchacuaite |
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Yang H, Downs R T, Evans S H, Feinglos M N, Tait K T |
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American Mineralogist 96 (2011) 1186-1189 |
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Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with |
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ramdohrite and fizelyite |
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Note: Sample ID R100213 |
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Locality: Uchuc-Chacua, Lima, Peru |
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_database_code_amcsd 0018371 |
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19.3645 12.7287 8.7571 90 90.059 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 .25569 .90189 .38932 .02333 .02553 .02243 .02205 -.00220 .00235 -.00225 |
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Pb2 .24831 .91430 -.09676 .02597 .03002 .02111 .02677 -.00179 -.00287 .00027 |
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Pb3 .05187 .90209 .62985 .02171 .02333 .02331 .01848 .00071 -.00042 -.00062 |
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MnM2 .13248 .14672 .12630 .901 .02215 .02553 .01820 .02271 -.00195 .00023 .00100 |
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AgM2 .13248 .14672 .12630 .049 .02215 .02553 .01820 .02271 -.00195 .00023 .00100 |
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SbM2 .13248 .14672 .12630 .049 .02215 .02553 .01820 .02271 -.00195 .00023 .00100 |
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Ag1 .14180 .17609 .62300 .04323 .04022 .05037 .03909 .02409 -.00854 -.00213 |
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Sb1 .35239 .12500 .64424 .01855 .02275 .01688 .01602 .00103 -.00096 .00094 |
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Sb2 .44416 .86816 .61507 .01736 .01626 .01710 .01872 -.00008 -.00132 .00165 |
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Sb3 .12858 .64468 .38406 .01656 .01846 .01558 .01564 -.00013 .00014 .00058 |
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Sb4 -.05365 .64186 .63757 .01826 .01878 .01942 .01659 -.00110 -.00056 -.00098 |
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Sb5 .05504 .88068 .14369 .01725 .01895 .01619 .01661 -.00224 .00011 .00100 |
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S1 .39618 .99378 -.16787 .01855 .02497 .01978 .01092 .00521 -.00037 -.00052 |
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S2 -.00750 .75035 .84718 .02154 .02400 .02774 .01287 -.00777 -.00253 -.00139 |
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S3 .23547 .04514 -.35328 .01971 .01922 .02005 .01984 .00465 -.00118 -.00123 |
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S4 .33934 .76560 .60393 .01936 .01995 .01958 .01855 -.00387 .00040 .00119 |
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S5 .10238 .98922 .93968 .01940 .02329 .02091 .01402 -.00606 -.00117 .00165 |
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S6 .16465 .76181 .59014 .01839 .01787 .02207 .01525 -.00114 .00177 -.00037 |
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S7 .40150 .00041 .42961 .01823 .01898 .02056 .01514 -.00130 .00070 .00216 |
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S8 -.01717 .76461 .42988 .01853 .01901 .02455 .01204 -.00030 -.00014 .00038 |
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S9 .25576 .06069 .13379 .01861 .01729 .01943 .01913 -.00381 -.00120 .00155 |
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S10 -.16685 .72249 .65532 .01833 .01691 .02127 .01679 -.00115 -.00068 .00151 |
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S11 .09330 .00701 .33500 .01970 .02643 .01805 .01463 -.00125 .00234 -.00122 |
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S12 .15984 .76684 .16766 .01789 .02021 .01749 .01597 .00078 .00191 .00131 |
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Uchucchacuaite |
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Yang H, Downs R T, Evans S H, Feinglos M N, Tait K T |
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American Mineralogist 96 (2011) 1186-1189 |
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Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with |
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ramdohrite and fizelyite |
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Note: Sample ID R070760 |
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Locality: Inakuraishi mine, Shakotan peninsula, Shiribeshi, Hokkaido Island, Japan |
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_database_code_amcsd 0018372 |
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19.3462 12.7251 8.7472 90 90.017 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 .25586 .90166 .38972 .02268 .02419 .02214 .02172 -.00335 .00297 -.00268 |
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Pb2 .24825 .91460 -.09672 .02481 .02801 .02039 .02603 -.00215 -.00251 .00026 |
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Pb3 .05180 .90146 .62997 .02017 .02071 .02176 .01803 .00080 -.00013 -.00048 |
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MnM2 .13211 .14680 .12588 .919 .02146 .02509 .01643 .02287 -.00079 .00285 -.00035 |
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AgM2 .13211 .14680 .12588 .041 .02146 .02509 .01643 .02287 -.00079 .00285 -.00035 |
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SbM2 .13211 .14680 .12588 .041 .02146 .02509 .01643 .02287 -.00079 .00285 -.00035 |
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Ag .14163 .17629 .62300 .04260 .03778 .04964 .04037 .02410 -.00956 -.00215 |
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Sb1 .35223 .12524 .64425 .01701 .01950 .01597 .01556 .00112 -.00052 .00065 |
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Sb2 .44411 .86875 .61565 .01603 .01384 .01628 .01798 -.00015 -.00117 .00216 |
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Sb3 .12878 .64473 .38365 .01556 .01579 .01474 .01617 .00021 .00045 .00025 |
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Sb4 -.05359 .64154 .63753 .01644 .01639 .01757 .01537 -.00037 -.00019 -.00096 |
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Sb5 .05487 .88067 .14325 .01530 .01551 .01544 .01495 -.00198 .00028 .00071 |
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S1 .39626 .99419 -.16734 .01814 .02290 .01939 .01214 .00497 -.00045 -.00025 |
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S2 -.00740 .74981 .84770 .01975 .02152 .02470 .01303 -.00636 -.00200 .00076 |
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S3 .23527 .04558 -.35350 .01868 .01762 .01872 .01970 .00387 -.00070 -.00173 |
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S4 .33928 .76619 .60375 .01837 .01645 .01894 .01974 -.00389 .00112 .00320 |
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S5 .10245 .98885 .93949 .01907 .02051 .02276 .01395 -.00604 -.00133 .00257 |
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S6 .16491 .76177 .59025 .01746 .01781 .01853 .01603 -.00118 .00130 -.00050 |
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S7 .40142 .00063 .42987 .01598 .01860 .01581 .01352 .00012 .00072 .00204 |
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S8 -.01713 .76437 .43022 .01735 .01561 .02404 .01239 -.00203 -.00078 .00060 |
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S9 .25571 .06084 .13438 .01763 .01518 .01680 .02092 -.00308 .00087 .00135 |
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S10 -.16697 .72155 .65435 .01791 .01466 .02164 .01742 -.00133 -.00007 .00263 |
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S11 .09300 .00653 .33590 .01991 .02549 .01757 .01666 -.00152 .00192 -.00221 |
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S12 .15966 .76696 .16719 .01658 .01734 .01725 .01515 .00027 .00011 .00138 |
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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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| Download AMC data (View Text File)
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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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Despujolsite |
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Barkley M C, Yang H, Evans S H, Downs R T, Origlieri M J |
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Acta Crystallographica E67 (2011) i47-i48 |
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Redetermination of despujolsite, Ca3Mn4+(SO4)2(OH)6*3H2O |
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Locality: N'Chwaning III mine, Kalahari Manganese Field, South Africa |
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_database_code_amcsd 0018458 |
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8.5405 8.5405 10.8094 90 90 120 P-62c |
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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 .1521 .30348 .25 .01085 .0137 .00918 .00980 .0058 0 0 |
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Mn 0 0 0 .00846 .00919 .00919 .0070 .00460 0 0 |
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S 1/3 2/3 .02544 .00936 .01001 .01001 .0081 .00501 0 0 |
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O1 1/3 2/3 -.11153 .0167 .0213 .0213 .0075 .0107 0 0 |
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O2 .2419 .47842 .06891 .0188 .027 .0106 .0170 .008 .004 .0033 |
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Oh3 .8945 .0966 .11070 .0109 .0084 .0148 .0107 .0067 -.0006 -.0004 |
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OW4 .5006 .4853 .25 .0171 .019 .023 .0136 .0138 0 0 |
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H1 .836 .125 .076 .026 |
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H2 .521 .445 .193 .046 |
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|
| Download AMC data (View Text File)
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Lotharmeyerite |
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Yang Y W, Evans S H, Downs R T, Yang H |
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Acta Crystallographica E68 (2012) i9-i10 |
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Lotharmeyerite, Ca(Zn,Mn)2(AsO4)2(H2O,OH)2 |
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Locality: Mapimi, Durango, Mexico |
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Note: RRUFF.info/R060682 |
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_database_code_amcsd 0018604 |
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9.0727 6.2530 7.4150 90 116.739 90 C2/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 0 0 0 .01360 .0185 .0120 .0108 0 .0070 0 |
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Zn1 .25 .25 .5 .512 .00936 .00931 .00899 .0080 .00002 .00232 -.00002 |
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Mn1 .25 .25 .5 .488 .00936 .00931 .00899 .0080 .00002 .00232 -.00002 |
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As1 .41579 0 .20474 .00864 .00787 .00860 .00895 0 .00336 0 |
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O1 .3390 .5 .4132 .0140 .0098 .0201 .0092 0 .0017 0 |
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O2 .3182 0 .3536 .0153 .0192 .0116 .0220 0 .0155 0 |
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O3 .03469 .2798 .2437 .0127 .0122 .0110 .0146 .0023 .0057 -.0005 |
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O4 .2569 0 -.0265 .0199 .0150 .0294 .0111 0 .0020 0 |
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H1 .440 .5 .464 .50 .040 |
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H2 .298 .5 .313 .040 |
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| Download AMC data (View Text File)
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