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Dellaventuraite |
| |
Tait K T, Hawthorne F C, Grice J D, Ottolini L, Nayak V K |
 |
American Mineralogist 90 (2005) 304-309 |
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Dellaventuraite, NaNa2(MgMn2TiLi)Si8O22O2, a new anhydrous amphibole from |
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the Kajlidongri Manganese Mine, Jhabua District, Madhya Pradesh, India |
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_database_code_amcsd 0003735 |
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9.808 17.840 5.2848 90 104.653 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) |
|
Mg1 0 .08163 .5 .39 .0100 .0087 .0167 .0057 0 .0041 0 |
|
Mn3+1 0 .08163 .5 .31 .0100 .0087 .0167 .0057 0 .0041 0 |
|
Ti4+1 0 .08163 .5 .30 .0100 .0087 .0167 .0057 0 .0041 0 |
|
Mg2 0 .17930 0 .50 .0070 .0084 .0073 .0062 0 .0032 0 |
|
Fe3+2 0 .17930 0 .36 .0070 .0084 .0073 .0062 0 .0032 0 |
|
Mn2+2 0 .17930 0 .09 .0070 .0084 .0073 .0062 0 .0032 0 |
|
Al2 0 .17930 0 .05 .0070 .0084 .0073 .0062 0 .0032 0 |
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Li3 0 .17930 0 .90 .0070 .0084 .0073 .0062 0 .0032 0 |
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Mg3 0 0 0 .07 .023 .027 .014 .024 0 -.003 0 |
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Mn3+3 0 0 0 .03 .023 .027 .014 .024 0 -.003 0 |
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Na4 0 .27565 .5 .86 .0160 .0202 .0137 .0197 0 .0154 0 |
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Ca4 0 .27565 .5 .14 .0160 .0202 .0137 .0197 0 .0154 0 |
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Si1 .27918 .08596 .2951 .0080 .0092 .0092 .0060 .0006 .0027 -.0001 |
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Si2 .28818 .17064 .8011 .0071 .0086 .0067 .0064 -.0005 .0025 -.0001 |
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O1 .1108 .0890 .2176 .0107 .010 .013 .009 -.0025 .0027 -.0006 |
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O2 .1172 .1662 .7229 .0115 .0084 .016 .0109 .0005 .0045 .0001 |
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O3 .1087 0 .6925 .0127 .011 .013 .014 0 .002 0 |
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O4 .3596 .2500 .8029 .0125 .016 .0105 .014 -.0029 .0080 -.0022 |
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O5 .3476 .1279 .0849 .0115 .0093 .0155 .0104 .0012 .0042 .0024 |
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O6 .3461 .1190 .5862 .0115 .0126 .0144 .0079 .0027 .0032 -.0009 |
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O7 .3364 0 .3005 .0124 .010 .009 .017 0 .002 0 |
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NaAm .017 .5 .039 .60 .018 |
|
KAm' .051 .5 .104 .40 .018 |
|
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Uchucchacuaite |
 |
Yang H, Downs R T, Evans S H, Feinglos M N, Tait K T |
| |
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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|
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|
| |
|
Uchucchacuaite |
|
Yang H, Downs R T, Evans S H, Feinglos M N, Tait K T |
| |
American Mineralogist 96 (2011) 1186-1189 |
|
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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|
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|
| |
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Esperite |
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Tait K T, Yang H, Downs R T, Li C, Pinch W W |
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American Mineralogist 95 (2010) 699-705 |
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The crystal structure of esperite, with a revised chemical formula, |
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PbCa2(ZnSiO4)3, isostructural with beryllonite |
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Locality: Franklin, New Jersey, USA |
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_database_code_amcsd 0005046 |
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8.7889 8.2685 15.2535 90 90.050 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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Pb .245756 .055200 .250826 .00928 .01076 .00671 .01038 .00027 .00008 -.00001 |
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Ca1 .73827 .46078 .07414 .00779 .0082 .0068 .0084 -.0006 .0008 .0004 |
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Ca2 .76071 .03835 .08855 .00768 .0095 .0060 .0076 -.0006 -.0010 .0004 |
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Zn1 .57626 .33526 .24338 .00795 .00805 .00877 .00704 -.00053 .00070 -.00056 |
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Zn2 .07422 .33879 .09038 .00789 .00759 .00824 .00786 -.00036 .00004 .00054 |
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Zn3 .09274 .33936 .41626 .00797 .00828 .00850 .00713 .00048 -.00057 -.00032 |
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Si1 .91112 .22833 .26527 .00588 .0062 .0058 .0057 .0005 -.0001 -.0003 |
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Si2 .43933 .22969 .41207 .00581 .0062 .0059 .0053 -.0003 .0005 .0000 |
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Si3 .39507 .22585 .07455 .00596 .0060 .0058 .0062 -.0005 .0002 .0001 |
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O1 .4095 .2295 .1819 .0094 .0095 .0121 .0066 -.0038 .0005 -.0003 |
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O2 .4339 .7366 .2947 .0093 .0075 .0121 .0083 -.0016 .0007 -.0038 |
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O3 .2698 .2303 .3661 .0095 .0079 .0117 .0089 .0023 -.0019 -.0038 |
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O4 .7684 .2503 .1979 .0087 .0080 .0109 .0071 .0019 -.0012 -.0016 |
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O5 .9125 .2422 .0170 .0082 .0097 .0096 .0052 -.0020 .0004 -.0002 |
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O6 .5655 .2541 .0346 .0086 .0067 .0104 .0088 -.0015 .0012 -.0018 |
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O7 .5464 .3672 .3678 .0097 .0130 .0088 .0073 -.0034 .0019 .0002 |
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O8 .2762 .3633 .0417 .0099 .0091 .0087 .0118 .0021 .0013 .0041 |
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O9 .9147 .3644 .3420 .0097 .0107 .0085 .0098 .0015 -.0029 -.0036 |
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O10 .5889 .5519 .1881 .0115 .0173 .0063 .0108 -.0007 .0033 -.0009 |
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O11 -.0172 .5545 .1060 .0102 .0096 .0055 .0156 -.0006 .0012 .0004 |
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O12 .1723 .5508 .4532 .0103 .0123 .0067 .0120 .0011 -.0034 .0005 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pargasite |
|
Tait K T, Hawthorne F C, Della Ventura G |
|
The Canadian Mineralogist 39 (2001) 1725-1732 |
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Al-Mg disorder in a gem-quality pargasite from Baffin Island, Nunavut, Canada |
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Locality: Baffin Island, Nunavut, Canada |
|
_database_code_amcsd 0005759 |
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9.8814 17.967 5.2927 90 105.263 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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O(1) .1066 .0873 .2167 .0111 .0083 .0162 .0090 -.0019 .0026 -.0010 |
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O(2) .1192 .1724 .7319 .0094 .0056 .0118 .0101 .0000 .0008 .0009 |
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O(3) .1068 0 .7159 .0077 .0057 .0081 .0089 0 .0011 0 |
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O(4) .3663 1/4 .7903 .0114 .0123 .0099 .0129 -.0019 .0050 -.0002 |
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O(5) .3505 .1393 .1104 .0125 .0086 .0168 .0108 -.0005 .0004 .0045 |
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O(6) .3447 .1169 .6098 .0127 .0091 .0150 .0135 .0001 .0021 -.0046 |
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O(7) .3418 0 .2823 .0149 .0127 .0120 .0191 0 .0026 0 |
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Si(1) .27988 .08548 .3030 .81 .0087 .0086 .0087 .0084 -.0009 .0016 -.0001 |
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Al(1) .27988 .08548 .3030 .19 .0087 .0086 .0087 .0084 -.0009 .0016 -.0001 |
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Si(2) .29017 .17327 .8125 .0072 .0071 .0076 .0069 -.0002 .0021 -.0004 |
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Mg(1) 0 .08891 1/2 .97 .0082 .0085 .0097 .0064 0 .0023 0 |
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Ti(1) 0 .08891 1/2 .03 .0082 .0085 .0097 .0064 0 .0023 0 |
|
Mg(2) 0 .17617 0 .70 .0051 .0057 .0050 .0048 0 .0018 0 |
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Al(2) 0 .17617 0 .27 .0051 .0057 .0050 .0048 0 .0018 0 |
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Fe(2) 0 .17617 0 .03 .0051 .0057 .0050 .0048 0 .0018 0 |
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Mg(3) 0 0 0 .81 .0065 .0071 .0064 .0053 0 .0004 0 |
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Al(3) 0 0 0 .17 .0065 .0071 .0064 .0053 0 .0004 0 |
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Fe(3) 0 0 0 .02 .0065 .0071 .0064 .0053 0 .0004 0 |
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Ca(4) 0 .27942 1/2 .91 .0101 .0117 .0095 .0107 0 .0057 0 |
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Na(4) 0 .27942 1/2 .09 .0101 .0117 .0095 .0107 0 .0057 0 |
|
NaA(2) 0 .471 0 .62 .0200 |
|
KA(m) .045 1/2 .095 .24 .0200 |
|
NaA(m) .045 1/2 .095 .11 .0200 |
|
H(1) .200 0 .832 .02 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nepheline |
|
Tait K T, Sokolova E V, Hawthorne F C, Khomyakov A P |
|
The Canadian Mineralogist 41 (2003) 61-70 |
|
The crystal chemistry of nepheline |
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Note: sample 1 |
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Locality: Khibina-Lovozero complex, Kola peninsula, Russia |
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_database_code_amcsd 0005822 |
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9.9995 9.9995 8.384 90 90 120 P6_3 |
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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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KA 0 0 .01170 .955 .02164 .01898 .01898 .0270 .00949 0 0 |
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NaB .99905 .55466 .5178 .02311 .0311 .0238 .0193 .0174 -.0013 .0010 |
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AlT1 2/3 1/3 .2121 .97 .01011 .0096 .0096 .0112 .00478 0 0 |
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SiT1 2/3 1/3 .2121 .02 .01011 .0096 .0096 .0112 .00478 0 0 |
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FeT1 2/3 1/3 .2121 .01 .01011 .0096 .0096 .0112 .00478 0 0 |
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SiT2 1/3 2/3 .3222 .01037 .0101 .0101 .0109 .00506 0 0 |
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SiT3 .75946 .66605 .33229 .00985 .0091 .0096 .0115 .0051 -.0001 -.0002 |
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AlT4 .09249 .75965 .20566 .97 .00899 .0077 .0084 .0107 .0038 .0001 -.0001 |
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SiT4 .09249 .75965 .20566 .02 .00899 .0077 .0084 .0107 .0038 .0001 -.0001 |
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FeT4 .09249 .75965 .20566 .01 .00899 .0077 .0084 .0107 .0038 .0001 -.0001 |
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O1 .3697 .696 .5103 1/3 .027 .017 .049 .0091 .013 .002 .005 |
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O2 .71067 .68560 .5113 .02036 .0170 .0384 .0107 .0176 -.0007 -.0003 |
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O3 .1728 .6484 .2610 .0274 .0111 .0104 .0618 .0063 -.0042 .0030 |
|
O4 .6516 .48999 .2766 .0240 .0140 .0105 .0484 .0075 -.0061 -.0086 |
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O5 .94000 .71478 .3346 .0136 .0097 .0174 .0133 .0065 .0001 -.0014 |
|
O6 .73563 .77827 .2110 .0166 .0211 .0163 .0185 .0138 .0026 .0041 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nepheline |
|
Tait K T, Sokolova E V, Hawthorne F C, Khomyakov A P |
|
The Canadian Mineralogist 41 (2003) 61-70 |
|
The crystal chemistry of nepheline |
|
Note: sample 2 |
|
Locality: Bancroft, Ontario, Canada |
|
_database_code_amcsd 0005823 |
|
9.985 9.985 8.372 90 90 120 P6_3 |
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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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KA 0 0 .01170 .80 .0241 .0204 .0204 .0316 .01019 0 0 |
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CaA 0 0 .01170 .04 .0241 .0204 .0204 .0316 .01019 0 0 |
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NaB .99813 .55455 .5174 .02352 .0312 .0241 .0204 .0176 -.0017 .0002 |
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AlT1 2/3 1/3 .2114 .97 .0119 .0108 .0108 .0142 .0054 0 0 |
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SiT1 2/3 1/3 .2114 .03 .0119 .0108 .0108 .0142 .0054 0 0 |
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SiT2 1/3 2/3 .3225 .0118 .0123 .0123 .0110 .00613 0 0 |
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SiT3 .75966 .66575 .3322 .01130 .0107 .0109 .0129 .0058 .0004 .0003 |
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AlT4 .09294 .76047 .2056 .94 .01051 .0082 .0095 .0127 .0036 .0001 -.0001 |
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SiT4 .09294 .76047 .2056 .06 .01051 .0082 .0095 .0127 .0036 .0001 -.0001 |
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O1 .3720 .694 .5091 1/3 .035 .017 .072 .012 .020 .0070 .029 |
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O2 .71056 .68338 .5121 .0243 .0187 .0462 .0140 .0208 -.0012 .0030 |
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O3 .1731 .6497 .2621 .0314 .0131 .0119 .0692 .0064 -.0058 .0017 |
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O4 .6516 .4889 .2759 .0263 .0148 .0113 .0541 .0076 -.0083 -.0078 |
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O5 .9399 .7137 .3328 .0141 .0090 .0178 .0161 .0072 .0004 -.0012 |
|
O6 .7341 .7764 .2111 .0188 .0223 .0208 .0202 .0159 .0035 .0030 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Nepheline |
|
Tait K T, Sokolova E V, Hawthorne F C, Khomyakov A P |
|
The Canadian Mineralogist 41 (2003) 61-70 |
|
The crystal chemistry of nepheline |
|
Note: sample 3 |
|
Locality: Monte Somma, Italy |
|
_database_code_amcsd 0005824 |
|
9.9979 9.9979 8.3852 90 90 120 P6_3 |
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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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KA 0 0 .01170 .88 .02170 .01841 .01841 .0283 .00920 0 0 |
|
NaB .99817 .55432 .5179 .98 .02255 .0305 .0230 .0190 .01703 -.0011 .0008 |
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CaB .99817 .55432 .5179 .02 .02255 .0305 .0230 .0190 .01703 -.0011 .0008 |
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AlT1 2/3 1/3 .2118 .99 .01030 .0098 .0098 .0113 .00491 0 0 |
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SiT1 2/3 1/3 .2118 .01 .01030 .0098 .0098 .0113 .00491 0 0 |
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SiT2 1/3 2/3 .32226 .01048 .01035 .01035 .0107 .00517 0 0 |
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SiT3 .75948 .66603 .33221 .00994 .00933 .00965 .0117 .00538 -.0001 -.00061 |
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AlT4 .09289 .76022 .20557 .98 .00960 .0081 .0085 .0117 .00376 .0003 -.0002 |
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SiT4 .09289 .76022 .20557 .01 .00960 .0081 .0085 .0117 .00376 .0003 -.0002 |
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FeT4 .09289 .76022 .20557 .01 .00960 .0081 .0085 .0117 .00376 .0003 -.0002 |
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O(1) .3698 .7021 .5099 1/3 .0273 .027 .043 .0088 .0152 -.001 .001 |
|
O(2) .71021 .68420 .5111 .02174 .0178 .0416 .0112 .0189 .0009 .0011 |
|
O(3) .17348 .64926 .2616 .0290 .0096 .0124 .0657 .0060 -.0042 .0032 |
|
O(4) .65115 .48976 .2757 .0251 .0133 .0097 .0531 .0062 -.0061 -.0083 |
|
O(5) .94001 .71420 .3341 .0146 .0098 .0189 .0151 .0073 .0011 -.0008 |
|
O(6) .73421 .77705 .2109 .0167 .0220 .0172 .0175 .0147 .0036 .0040 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Arseniopleite |
|
Tait K T, Hawthorne F C |
|
The Canadian Mineralogist 41 (2003) 71-77 |
|
Refinement of the crystal structure of arseniopleite: Confirmation of its status |
|
as a valid species |
|
_database_code_amcsd 0005825 |
|
6.8113 13.0358 11.3245 90 100.25 90 I2/a |
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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) |
|
CaX1 .0217 .00131 .51196 .34 .0127 |
|
NaX1 .0217 .00131 .51196 .16 .0127 |
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NaX2 1/4 .01816 0 .93 .0267 .0187 .0447 .0176 0 .0055 0 |
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PbX2 1/4 .01816 0 .06 .0267 .0187 .0447 .0176 0 .0055 0 |
|
BaX2 1/4 .01816 0 .01 .0267 .0187 .0447 .0176 0 .0055 0 |
|
MnM1 1/4 .73506 0 .01148 .0108 .0119 .0114 0 .00108 0 |
|
MnM2 .08846 .15590 .21656 .605 .01132 .0095 .0130 .0115 -.00058 .00176 .00017 |
|
MgM2 .08846 .15590 .21656 .260 .01132 .0095 .0130 .0115 .00058 .00176 .00017 |
|
FeM2 .08846 .15590 .21656 .135 .01132 .0095 .0130 .0115 .00058 .00176 .00017 |
|
As1 1/4 .28829 0 .01037 .01044 .00991 .01185 0 .00496 0 |
|
As2 .10766 .88811 .23133 .00967 .00892 .01111 .00956 .00053 .00322 .00024 |
|
O1 .0669 .21526 .03833 .0148 .011 .0196 .0148 -.0025 .0044 .0018 |
|
O2 .1481 .12546 .39581 .0245 .0408 .0166 .0179 -.0145 .0099 -.0052 |
|
O3 .2771 .83036 .16070 .0143 .0110 .0175 .0157 .0007 .0061 -.0032 |
|
O4 .1963 .90301 .37980 .0150 .0192 .0148 .0104 .0016 .0011 -.0008 |
|
O5 .1019 .31791 .28168 .0153 .0096 .0191 .0174 .0025 .0032 .0013 |
|
O6 .0552 .00113 .16087 .0160 .0189 .0135 .0156 .0036 .0030 .0039 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bobfergusonite |
|
Tait K T, Hawthorne F C, Cerny P, Galliski M A |
|
The Canadian Mineralogist 42 (2004) 705-716 |
|
Bobfergusonite from the Nancy Pegmatite, San Luis Range, Argentina: |
|
Crystal-structure refinement and chemical composition |
|
Locality: Nancy Pegmatite, San Luis Range, Argentina |
|
_database_code_amcsd 0005932 |
|
12.796 12.465 11.001 90 97.39 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MnM1 .13420 .23941 -.00222 .01269 .0102 .0156 .0118 .0004 -.00031 .00211 |
|
MnM2 .63042 .23867 .00089 .89 .01315 .0113 .0149 .0124 .0015 -.00193 -.00105 |
|
CaM2 .63042 .23867 .00089 .11 .01315 .0113 .0149 .0124 .0015 -.00193 -.00105 |
|
Fe2+M3 .29672 .14728 .72252 .38 .01049 .0102 .0099 .0108 -.00120 -.00093 .00094 |
|
MnM3 .29672 .14728 .72252 .32 .01049 .0102 .0099 .0108 -.00120 -.00093 .00094 |
|
Fe3+M3 .29672 .14728 .72252 .24 .01049 .0102 .0099 .0108 -.00120 -.00093 .00094 |
|
MgM3 .29672 .14728 .72252 .06 .01049 .0102 .0099 .0108 -.00120 -.00093 .00094 |
|
Fe2+M4 .79843 .14656 .72557 .53 .01102 .0106 .0101 .0120 .0001 -.0003 .00060 |
|
Fe3+M4 .79843 .14656 .72557 .25 .01102 .0106 .0101 .0120 .0001 -.0003 .00060 |
|
MgM4 .79843 .14656 .72557 .22 .01102 .0106 .0101 .0120 .0001 -.0003 .00060 |
|
Fe2+M5 .46185 .16300 .28185 .28 .01071 .0102 .0126 .0090 .0010 .0002 -.0020 |
|
Fe3+M5 .46185 .16300 .28185 .42 .01071 .0102 .0126 .0090 .0010 .0002 -.0020 |
|
MgM5 .46185 .16300 .28185 .30 .01071 .0102 .0126 .0090 .0010 .0002 -.0020 |
|
AlM6 .96010 .16394 .28144 .94 .0084 .0078 .0092 .0081 .0004 .0009 -.0006 |
|
Fe3+M6 .96010 .16394 .28144 .06 .0084 .0078 .0092 .0081 .0004 .0009 -.0006 |
|
MnX1 .24917 .00113 -.00326 .02130 .0354 .00972 .0228 -.00170 .01923 -.00134 |
|
NaX2 0 0 0 .92 .0254 .0329 .0137 .0340 .0016 .0211 .0028 |
|
NaX3 .5 0 0 .88 .0306 .0380 .0143 .0462 .0021 .0304 -.0001 |
|
NaX4 .3713 .0174 .49650 .57 .0352 .060 .0295 .0199 .0008 .0122 -.0015 |
|
NaX5 .8762 .0160 .50243 .53 .0359 .060 .0296 .0211 .0048 .0154 -.0001 |
|
P1 .38358 .21696 .00290 .00802 .0078 .0086 .0078 -.0002 .0015 -.0001 |
|
P2 .88391 .21205 .00852 .00757 .0074 .0081 .0075 .0002 .0017 .0004 |
|
P3 .20062 .11529 .25736 .00783 .0075 .0080 .0081 .0002 .0014 -.0001 |
|
P4 .70687 .11406 .26218 .00805 .0077 .0075 .0092 .0006 .0021 .0001 |
|
P5 .06085 .09455 .73786 .00796 .0070 .0088 .0081 .0001 .0012 .0004 |
|
P6 .56023 .10271 .74000 .00857 .0079 .0082 .0098 -.0007 .0019 .0002 |
|
O1 .29738 .21362 .54446 .0117 .0120 .0127 .0108 -.0023 .0032 .0000 |
|
O2 .79913 .20976 .54512 .0097 .0067 .0129 .0099 -.0021 .0026 -.0002 |
|
O3 .46853 .22141 .45476 .0100 .0102 .0104 .0101 .0017 .0046 -.0010 |
|
O4 .96558 .21419 .44520 .0089 .0071 .0120 .0077 .0022 .0013 -.0004 |
|
O5 .33192 .37396 .41874 .0129 .0166 .0108 .0117 .0033 .0028 .0015 |
|
O6 .82928 .36872 .41534 .0135 .0162 .0121 .0125 .0089 .0034 .0008 |
|
O7 .44212 .35398 .61396 .0121 .0168 .0111 .0087 -.0043 .0027 -.0013 |
|
O8 .94709 .34870 .60403 .0137 .0194 .0123 .0092 -.0072 .0010 -.0016 |
|
O9 .11059 .17153 .31505 .0092 .0084 .0088 .0109 .0006 .0035 -.0010 |
|
O10 .62192 .17581 .32160 .0112 .0123 .0094 .0122 .0010 .0030 -.0006 |
|
O11 .13403 .15220 .65739 .0131 .0106 .0122 .0181 .0023 .0083 .0045 |
|
O12 .63820 .15597 .66157 .0131 .0133 .0106 .0168 .0004 .0073 .0012 |
|
O13 .11172 .40832 .37427 .0129 .0136 .0131 .0112 -.0001 -.0016 -.0013 |
|
O14 .61316 .41262 .37201 .0127 .0138 .0138 .0092 -.0004 -.0033 -.0013 |
|
O15 .17331 .39990 .62261 .0112 .0125 .0123 .0088 .0006 .0015 .0022 |
|
O16 .67093 .39784 .61741 .0111 .0132 .0119 .0078 -.0006 .0001 .0012 |
|
O17 .29979 .18730 .27910 .0114 .0086 .0149 .0102 -.0025 -.0004 -.0018 |
|
O18 .80896 .18240 .27782 .0101 .0098 .0106 .0099 -.0012 .0016 -.0005 |
|
O19 .46212 .17609 .73756 .0106 .0088 .0116 .0118 .0012 .0022 .0005 |
|
O20 .95903 .16093 .73393 .0125 .0106 .0131 .0140 .0022 .0017 .0011 |
|
O21 .27858 .50788 .18067 .0168 .0176 .0110 .0221 -.0058 .0041 -.0065 |
|
O22 .77610 .50661 .17456 .0157 .0168 .0102 .0209 -.0030 .0057 -.0026 |
|
O23 .46455 .48170 .81566 .0120 .0159 .0093 .0105 .0024 -.0001 -.0011 |
|
O24 .97240 .49340 .81578 .0158 .0165 .0109 .0200 .0045 .0023 .0034 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Johillerite |
|
Tait K T, Hawthorne F C |
|
The Canadian Mineralogist 42 (2004) 717-722 |
|
Johillerite from Tolbachik, Kamchatka Peninsula, Russia: Crystal-structure |
|
refinement and chemical composition |
|
Locality: Tolbachik, Kamchatka Peninsula, Russia |
|
_database_code_amcsd 0005933 |
|
6.7520 12.739 11.068 90 100.37 90 I2/a |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu2+A1 .25 .00236 .5 .0126 .0206 .0060 .0111 0 .0021 0 |
|
NaA2 .25 .0071 0 .77 .0329 .038 .044 .0186 0 .0077 0 |
|
Pb2+A2 .25 .0071 0 .01 .0329 .038 .044 .0186 0 .0077 0 |
|
CaA2 .25 .0071 0 .01 .0329 .038 .044 .0186 0 .0077 0 |
|
KA2 .25 .0071 0 .03 .0329 .038 .044 .0186 0 .0077 0 |
|
MgM1 .25 .73963 0 .79 .0170 .0212 .0155 .0131 0 -.0001 0 |
|
Cu2+M1 .25 .73963 0 .21 .0170 .0212 .0155 .0131 0 -.0001 0 |
|
MgM2 .08832 .15530 .21465 .65 .0138 .0192 .0096 .0120 -.0004 .0011 .0010 |
|
Cu2+M2 .08832 .15530 .21465 .195 .0138 .0192 .0096 .0120 -.0004 .0011 .0010 |
|
Fe3+M2 .08832 .15530 .21465 .125 .0138 .0192 .0096 .0120 -.0004 .0011 .0010 |
|
AlM2 .08832 .15530 .21465 .03 .0138 .0192 .0096 .0120 -.0004 .0011 .0010 |
|
As5+T1 .25 .28556 0 .01089 .0157 .0073 .0106 0 .00495 0 |
|
As5+T2 .10551 .88564 .23053 .01094 .0150 .0078 .0105 -.00062 .00335 -.00067 |
|
O1 .0537 .00302 .1679 .0171 .0232 .0075 .0209 .0026 .0048 .0011 |
|
O2 .3030 -.10913 .6161 .0144 .0233 .0097 .0093 -.0004 .0008 .0009 |
|
O3 .1564 .37986 -.1062 .0129 .0194 .0075 .0110 .0029 .0009 .0010 |
|
O4 .2783 .8299 .1588 .0145 .0174 .0118 .0152 .0002 .0056 -.0029 |
|
O5 -.1034 .8113 .2156 .0141 .0169 .0124 .0137 -.0041 .0046 -.0018 |
|
O6 .4394 .21446 -.0374 .0131 .0180 .0117 .0103 .0019 .0046 -.0009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rruffite |
| |
Yang H, Jenkins R A, Downs R T, Evans S H, Tait K T |
| |
The Canadian Mineralogist 49 (2011) 877-884 |
|
Rruffite, Ca2Cu(AsO4)2*2H2O, a new member of the roselite group, from Tierra Amarilla, Chile |
|
Locality: the Maria Catalina mine, Tierra Amarilla, Chile |
|
_database_code_amcsd 0018388 |
|
5.8618 12.7854 5.7025 90 109.425 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .56418 .12303 .21155 .0100 .0089 .0094 .0119 -.0003 .0038 -.0010 |
|
Cu 0 0 0 .0128 .0109 .0121 .0136 .0001 .0016 -.0044 |
|
As .22626 .12128 .54652 .0080 .0074 .0076 .0084 .0002 .0019 -.0001 |
|
O1 .2381 .0379 .3183 .0119 .0102 .0135 .0118 -.0006 .0032 -.0048 |
|
O2 .3018 .0542 .8149 .0112 .0124 .0104 .0106 .0011 .0037 .0026 |
|
O3 .9533 .1749 .4816 .0121 .0083 .0126 .0142 .0041 .0020 .0001 |
|
O4 .4468 .2067 .5496 .0126 .0114 .0116 .0156 -.0049 .0056 -.0024 |
|
O5 .8261 .1361 .9559 .0112 .0112 .0095 .0105 -.0009 .0004 -.0011 |
|
H1 .731 .141 .855 .04 |
|
H2 .897 .197 .983 .04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manitobaite |
| |
Tait K T, Ercit T S, Abdu Y A, Cerny P, Hawthorne F C |
| |
The Canadian Mineralogist 49 (2011) 1221-1242 |
|
The crystal structure and crystal chemistry of manitobaite, |
|
ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba |
|
Note: green sample |
|
Locality: Cross Lake, Manitoba, Canada |
|
_database_code_amcsd 0018618 |
|
13.4517 12.5266 26.6765 90 101.582 90 Pc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 .27507 .48754 .53463 .0110 .0090 .0096 .0142 -.0008 .0014 .0008 |
|
Mn2 .08521 .51473 .23568 .0098 .0144 .0092 .0056 -.0009 .0018 .0009 |
|
Mn3 .38701 .01272 .43005 .0086 .0101 .0059 .0095 .0014 .0008 .0007 |
|
Mn4 .04125 .25301 -.20979 .0203 .0186 .0128 .0319 -.0008 .0111 -.0010 |
|
Mn5 .22275 .24635 .57565 .0093 .0030 .0043 .0222 -.0008 .0064 .0007 |
|
Mn6 .87662 .48637 -.06323 .0097 .0084 .0115 .0091 .0000 .0014 .0005 |
|
Mn7 .43438 .24765 .38375 .0105 .0102 .0051 .0182 -.0017 .0078 -.0027 |
|
Mn8 .82869 .25261 -.01776 .0144 .0100 .0104 .0236 .0000 .0059 -.0005 |
|
Mn9 .17913 -.01368 .13076 .0104 .0115 .0097 .0095 .0013 .0012 -.0017 |
|
Mn10 -.01129 -.01214 .33218 .0077 .0101 .0094 .0040 -.0017 .0020 -.0009 |
|
Fe1 .19871 .39896 .34672 .0059 .0072 .0054 .0053 .0012 .0019 .0013 |
|
Fe2 .59775 .39878 -.05414 .0081 .0086 .0056 .0096 -.0003 .0010 .0001 |
|
Fe3 .99429 .60248 .04841 .0085 .0082 .0080 .0085 .0032 .0001 -.0017 |
|
Fe4 .49414 .09107 .04032 .0111 .0095 .0158 .0070 -.0009 -.0007 -.0001 |
|
Fe5 .77060 .40985 .32664 .0077 .0085 .0060 .0094 -.0001 .0038 .0010 |
|
Fe6 .06581 .10090 .02103 .0111 .0116 .0098 .0113 -.0018 .0010 -.0018 |
|
Fe7 .26967 .10208 -.18088 .0095 .0096 .0086 .0102 .0027 .0020 -.0012 |
|
Fe8 .66696 -.10120 -.07847 .0091 .0098 .0095 .0083 -.0002 .0026 .0025 |
|
FeX1 .17085 .58558 .42249 .67 .0086 .0098 .0069 .0095 -.0009 .0029 -.0015 |
|
AlX1 .17085 .58558 .42249 .21 .0086 .0098 .0069 .0095 -.0009 .0029 -.0015 |
|
MgX1 .17085 .58558 .42249 .12 .0086 .0098 .0069 .0095 -.0009 .0029 -.0015 |
|
FeX2 .09331 .08534 .44465 .68 .0081 .0073 .0087 .0071 -.0014 -.0011 -.0016 |
|
MgX2 .09331 .08534 .44465 .32 .0081 .0073 .0087 .0071 -.0014 -.0011 -.0016 |
|
MnM1 .40036 .39500 .14503 .5 .0139 .0156 .0122 .0133 -.0020 .0015 .0010 |
|
FeM1 .40036 .39500 .14503 .5 .0139 .0156 .0122 .0133 -.0020 .0015 .0010 |
|
FeM2 .86433 .10538 .22203 .5 .0055 .0043 .0095 .0031 .0011 .0015 -.0020 |
|
MnM2 .86433 .10538 .22203 .5 .0055 .0043 .0095 .0031 .0011 .0015 -.0020 |
|
MnY1 .63196 .25018 .18278 .36 .0211 .0128 .0110 .0431 -.0037 .0142 -.0070 |
|
CaY1 .63196 .25018 .18278 .64 .0211 .0128 .0110 .0431 -.0037 .0142 -.0070 |
|
CaZ1 .48574 .48313 .33333 .28 .0097 .0088 .0071 .0125 -.0004 .0007 .0030 |
|
CaZ1 .48574 .48313 .33333 .72 .0097 .0088 .0071 .0125 -.0004 .0007 .0030 |
|
CaZ2 .77802 .01716 .03361 .16 .0130 .0169 .0135 .0085 -.0006 .0026 -.0009 |
|
MnZ2 .77802 .01716 .03361 .84 .0130 .0169 .0135 .0085 -.0006 .0026 -.0009 |
|
Al1 .79378 .40085 -.24963 .79 .0091 |
|
Fe1 .79378 .40085 -.24963 .21 .0091 |
|
Al2 .69337 .08254 -.15735 .93 .0111 |
|
Fe2 .69337 .08254 -.15735 .07 .0111 |
|
Al3 .57167 .41841 .52499 .99 .0033 |
|
Fe3 .57167 .41841 .52499 .01 .0033 |
|
Al4 .47177 -.09752 .11731 .84 .0038 |
|
Fe4 .47177 -.09752 .11731 .16 .0038 |
|
Al5 .37517 .59176 .22079 .89 .0053 |
|
Fe5 .37517 .59176 .22079 .11 .0053 |
|
Al6 .96963 .41774 .12540 .68 .0028 |
|
Fe6 .96963 .41774 .12540 .32 .0028 |
|
Al7 -.11089 -.09417 .14659 .71 .0158 |
|
Fe7 -.11089 -.09417 .14659 .29 .0158 |
|
Al8 .29588 .08395 .24195 .52 .0127 |
|
Fe8 .29588 .08395 .24195 .48 .0127 |
|
P1 .40209 .13488 .14892 .0030 |
|
P2 .70153 .34258 -.14612 .0066 |
|
P3 .30164 .34793 .25316 .0091 |
|
P4 .60162 .13727 -.05494 .0063 |
|
P5 .09175 .35266 .45270 .0063 |
|
P6 .38732 .46137 .43812 .0062 |
|
P7 .20519 .13444 .34885 .0062 |
|
P8 .05946 .36547 .01903 .0082 |
|
P9 .26781 .36553 -.18399 .0070 |
|
P10 .18424 .53436 .13790 .0073 |
|
P11 -.01674 .53784 .33383 .0071 |
|
P12 .49305 .35253 .05063 .0075 |
|
P13 .86212 .36354 .21862 .0127 |
|
P14 .78071 .46791 .03942 .0081 |
|
P15 .58616 .47773 .23731 .0112 |
|
P16 .56239 .15909 .51283 .0065 |
|
P17 .90474 .35027 -.33908 .0066 |
|
P18 .36003 .15004 .70594 .0094 |
|
P19 .17276 -.14959 .41438 .0099 |
|
P20 .45212 .35515 .61159 .0100 |
|
P21 .81270 .14356 -.24362 .0040 |
|
P22 .28217 .03770 .53366 .0079 |
|
P23 -.03645 .15884 .11323 .0108 |
|
P24 .99742 .86386 .05301 .0087 |
|
P25 .66298 .36209 .42220 .0078 |
|
P26 .07951 -.03460 .22874 .0066 |
|
P27 .48318 .03183 .32755 .0059 |
|
P28 .77030 .14964 .31600 .0069 |
|
P29 .87667 .03750 -.07163 .0080 |
|
P30 .67915 .02383 .12999 .0048 |
|
Na1 .58711 .01517 .22905 .72 .0053 |
|
Ca1 .58711 .01517 .22905 .28 .0053 |
|
Na2 .67265 .48283 .13788 .64 .0104 |
|
Ca2 .67265 .48283 .13788 .36 .0104 |
|
Na3 .7783 .7265 .04229 .0243 |
|
Na4 .2800 .2288 .03146 .0289 |
|
Na5 .1823 .2689 .13214 .0279 |
|
Na6 .8829 .7743 -.06103 .0238 |
|
Na7 .32117 .2532 .47428 .0123 |
|
Na8 .52955 .2480 .27670 .93 .0125 |
|
Na9 .3820 -.2751 .42969 .99 .0183 |
|
Na10 .1266 .7510 .17767 .0123 |
|
Na11 .9843 .2745 .33739 .93 .0163 |
|
Na12 .4874 .2275 -.17186 .0256 |
|
Na13 .0844 .2286 .23757 .99 .0212 |
|
Na14 .72405 .2534 .07897 .0170 |
|
Na15 .9333 .2464 -.11579 .93 .0156 |
|
Na16A .5869 .2584 -.2831 .45 .027 |
|
Na16B .6768 .2455 .6541 .55 .037 |
|
O1 .2157 -.0369 .55875 .0091 |
|
O2 .3082 .5281 .45960 .0046 |
|
O3 .5526 .2423 -.07616 .0081 |
|
O4 .1419 .4256 -.00312 .0156 |
|
O5 .2672 -.0947 .39937 .0142 |
|
O6 .0307 .4315 .06254 .0170 |
|
O7 .5675 .3456 .37889 .0092 |
|
O8 .3126 .2592 -.16320 .0112 |
|
O9 .1037 .2592 .03920 .0100 |
|
O10 .9626 .3513 -.02450 .0065 |
|
O11 .0575 .0976 .10099 .0156 |
|
O12 .1041 .4660 .15834 .0120 |
|
O13 .9486 .7598 .03040 .0106 |
|
O14 .6578 .0992 .50275 .0105 |
|
O15 .1671 .3473 -.22442 .0032 |
|
O16 .3448 .4172 -.21388 .0129 |
|
O17 .7442 .4056 -.18626 .0121 |
|
O18 .3527 .3466 .57063 .0050 |
|
O19 .5321 .4158 .58863 .0068 |
|
O20 .7002 .5388 .05777 .0117 |
|
O21 .2443 .4358 -.14177 .0139 |
|
O22 .4782 .1618 .46357 .0085 |
|
O23 .1347 .6220 .10101 .0160 |
|
O24 .7861 .3333 -.09712 .0133 |
|
O25 .7441 .4243 .40206 .0135 |
|
O26 .9338 .4226 -.38092 .0107 |
|
O27 .2078 -.2567 .43725 .0128 |
|
O28 .4160 -.0399 .35359 .0057 |
|
O29 .6307 .4298 .46454 .0109 |
|
O30 .8377 .4021 .08442 .0148 |
|
O31 .3977 .2575 .72980 .0137 |
|
O32 .5981 .2696 .53140 .0069 |
|
O33 .9434 .4199 .19349 .0152 |
|
O34 .1758 .3383 .50052 .0132 |
|
O35 .0574 .2412 .4292 .0179 |
|
O36 .8353 .0808 -.28988 .0135 |
|
O37 .3520 .2357 .12195 .0090 |
|
O38 .1340 -.0858 .45503 .0131 |
|
O39 .0851 -.1569 .36618 .0097 |
|
O40 .8293 .4406 .25769 .0185 |
|
O41 .3866 .3306 .30186 .0152 |
|
O42 .6666 .2286 -.16624 .0130 |
|
O43 .7689 .3374 .17650 .0107 |
|
O44 .8135 -.0357 -.04471 .0092 |
|
O45 .4444 .0971 .68327 .0084 |
|
O46 .5009 .5439 .25249 .0112 |
|
O47 .1578 .2407 .32789 .0115 |
|
O48 -.0884 .4744 .36085 .0075 |
|
O49 .8645 .0941 .30139 .0110 |
|
O50 .6288 .4081 .28293 .0189 |
|
O51 .3378 .3751 .39965 .0132 |
|
O52 .6046 -.0526 .14860 .0077 |
|
O53 .4929 .2449 .62732 .0091 |
|
O54 .4478 .3950 .48267 .0113 |
|
O55 .0191 -.0951 .18236 .0109 |
|
O56 .7273 .0740 .35189 .0165 |
|
O57 .9993 .3346 -.29549 .0156 |
|
O58 .0016 .2712 .13359 .0173 |
|
O59 .2438 .5963 .1838 .0180 |
|
O60 .9263 .1256 -.03436 .0101 |
|
O61 .7335 .3806 .00169 .0145 |
|
O62 .3376 .1147 .57543 .0102 |
|
O63 .4549 .2504 .02053 .0125 |
|
O64 .8187 .1026 -.11683 .0109 |
|
O65 .8467 .5405 .01414 .0141 |
|
O66 .0164 .0390 .25565 .0072 |
|
O67 .8090 .2509 .34555 .0133 |
|
O68 .5727 .3234 .09851 .0163 |
|
O69 .2475 .4604 .11107 .0136 |
|
O70 .4522 .5346 .41105 .0148 |
|
O71 .6598 .5557 .21891 .0131 |
|
O72 -.0751 .6144 .29081 .0157 |
|
O73 .3314 .0832 .74857 .0130 |
|
O74 .3450 .4189 .21420 .0134 |
|
O75 .4315 .4180 .65766 .0096 |
|
O76 .7170 .1038 .17244 .0090 |
|
O77 .2364 .0675 .30558 .0068 |
|
O78 .0455 .6191 .36917 .0141 |
|
O79 .5492 .4019 .19203 .0189 |
|
O80 .9105 .2658 .24579 .0170 |
|
O81 .1299 .4240 .41313 .0127 |
|
O82 .2208 .1147 .49404 .0180 |
|
O83 .5201 .0974 .55388 .0071 |
|
O84 .2665 .1623 .66292 .0071 |
|
O85 -.0765 .1028 .15428 .0186 |
|
O86 .1288 -.1220 .26605 .0077 |
|
O87 .0468 .4610 .30830 .0112 |
|
O88 .4382 .0581 .11045 .0037 |
|
O89 .3506 -.0275 .50570 .0124 |
|
O90 .1575 .0324 .20642 .0097 |
|
O91 .7082 .2569 .44322 .0159 |
|
O92 -.1212 .1644 .06483 .0113 |
|
O93 .7692 .2541 -.26036 .0133 |
|
O94 .4276 .0946 .28069 .0133 |
|
O95 .5406 .4294 .01605 .0055 |
|
O96 .5218 .0714 -.03358 .0055 |
|
O97 .5284 .1185 .36695 .0096 |
|
O98 -.0001 .4053 .46792 .0081 |
|
O99 .4027 .4079 .06671 .0096 |
|
O100 .0979 .8463 .09005 .0180 |
|
O101 .6967 .1581 -.01362 .0129 |
|
O102 .7318 .0802 -.22270 .0116 |
|
O103 .9531 -.0296 -.0935 .0181 |
|
O104 .6349 .0694 -.09713 .0077 |
|
O105 .6104 .4017 -.13406 .0114 |
|
O106 .3183 .0772 .17134 .0112 |
|
O107 .1241 .0736 .36999 .0117 |
|
O108 .9177 .9237 .07648 .0139 |
|
O109 .6867 .1697 .26900 .0122 |
|
O110 .9147 .1551 -.20436 .0138 |
|
O111 .2092 .4018 .26655 .0084 |
|
O112 .4951 .1667 .18886 .0138 |
|
O113 .3019 .1508 .38952 .0116 |
|
O114 .8158 .4044 -.32021 .0129 |
|
O115 .0183 .9365 .00970 .0117 |
|
O116 .5602 -.0384 .30651 .0065 |
|
O117 .6384 .0874 .08163 .0131 |
|
O118 .8662 .2417 -.3630 .0181 |
|
O119 .7632 -.0443 .11237 .0169 |
|
O120 .2656 .2389 .23025 .0213 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Manitobaite |
| |
Tait K T, Ercit T S, Abdu Y A, Cerny P, Hawthorne F C |
| |
The Canadian Mineralogist 49 (2011) 1221-1242 |
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The crystal structure and crystal chemistry of manitobaite, |
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ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba |
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Note: brown sample |
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Locality: Cross Lake, Manitoba, Canada |
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_database_code_amcsd 0018619 |
|
13.4499 12.5046 26.6148 90 101.221 90 Pc |
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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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Mn1 .275289 .488393 .535181 .01113 .00980 .01328 .01084 -.00104 .00330 .00029 |
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Mn2 .084665 .511012 .235879 .00369 .00533 .00499 .00107 -.00011 .00140 -.00087 |
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Mn3 .388493 .013166 .429833 .00539 .00481 .00521 .00637 .00017 .00163 -.00085 |
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Mn4 .039362 .253828 -.212158 .01915 .01595 .01367 .02879 -.00095 .00670 -.00128 |
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Mn5 .223740 .247211 .577391 .01022 .00467 .00353 .02546 -.00087 .01037 .00149 |
|
Mn6 .875860 .487213 -.063037 .01339 .01544 .01344 .01058 .00100 .00072 .00222 |
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Mn7 .434902 .248667 .381585 .01324 .00891 .00537 .02676 .00347 .00673 -.00044 |
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Mn8 .829743 .252777 -.016628 .01397 .01060 .00878 .02342 -.00442 .00548 -.00223 |
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Mn9 .180012 -.011333 .131105 .01787 .02006 .01786 .01454 .00237 .00056 -.00111 |
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Mn10 -.010780 -.011785 .331872 .00716 .00968 .00604 .00530 -.00298 .00031 -.00163 |
|
Fe1 .198527 .398349 .346680 .00923 .01055 .00785 .01027 .00015 .00443 .00096 |
|
Fe2 .597455 .397580 -.054478 .01133 .01370 .00906 .01114 .00164 .00220 .00369 |
|
Fe3 .992960 .603527 .048612 .00666 .00884 .00822 .00242 -.00084 -.00016 .00048 |
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Fe4 .494370 .091271 .041046 .01080 .01047 .01141 .00978 -.00159 .00012 -.00172 |
|
Fe5 .770588 .409639 .326560 .00609 .00569 .00867 .00423 .00026 .00179 .00209 |
|
Fe6 .066056 1.102577 .020953 .00714 .00810 .00525 .00620 -.00027 -.00325 -.00107 |
|
Fe7 .270389 .103308 -.181010 .01067 .01118 .00626 .01427 -.00039 .00170 .00035 |
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Fe8 .667519 -.101813 -.079244 .00492 .00483 .00498 .00521 .00122 .00162 .00600 |
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FeX1 .171047 .585961 .423389 .70 .00874 .00863 .00789 .00931 -.00083 .00080 .00057 |
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AlX1 .171047 .585961 .423389 .30 .00874 .00863 .00789 .00931 -.00083 .00080 .00057 |
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FeX2 .093311 .085168 .445086 .62 .00632 .00695 .00657 .00507 -.00095 .00026 .00043 |
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AlX2 .093311 .085168 .445086 .38 .00632 .00695 .00657 .00507 -.00095 .00026 .00043 |
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MnM1 .398564 .393158 .145179 .50 .01428 .01842 .01422 .00902 .00064 -.00023 .00306 |
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FeM1 .398564 .393158 .145179 .50 .01428 .01842 .01422 .00902 .00064 -.00023 .00306 |
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FeM2 .866058 .107348 .221745 .50 .00586 .00604 .00601 .00559 .00094 .00132 -.00404 |
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MnM2 .866058 .107348 .221745 .50 .00586 .00604 .00601 .00559 .00094 .00132 -.00404 |
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CaY1 .62967 .25097 .177303 .66 .01998 .00856 .00898 .04212 -.00099 .00423 -.00124 |
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MnY1 .62967 .25097 .177303 .34 .01998 .00856 .00898 .04212 -.00099 .00423 -.00124 |
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CaZ1 .487283 .484311 .333293 .16 .00866 .00867 .00938 .00742 -.00409 .00033 .00348 |
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MnZ1 .487283 .484311 .333293 .84 .00866 .00867 .00938 .00742 -.00409 .00033 .00348 |
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CaZ2 .777816 .01746 .033332 .27 .01491 .01880 .01330 .01183 .00056 .00104 -.00055 |
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MnZ2 .777816 .01746 .033332 .73 .01491 .01880 .01330 .01183 .00056 .00104 -.00055 |
|
Na1 .59115 .01595 .229211 .61 .00749 |
|
Ca1 .59115 .01595 .229211 .39 .00749 |
|
Na2 .67392 .48572 .137898 .64 .01596 |
|
Ca2 .67392 .48572 .137898 .36 .01596 |
|
Na3 .77758 .72828 .04320 .83 .02469 |
|
Na4 .27766 .23226 .03604 .02821 |
|
Na5 .17900 .26727 .13857 .64 .0327 |
|
Na6 .88371 .77215 -.06119 .02042 |
|
Na7 .32368 .25332 .47543 .01254 |
|
Na8 .53007 .24815 .27562 .90 .01437 |
|
Na9 .38295 -.27238 .43047 .91 .02453 |
|
Na10 .12781 .74978 .17951 .01491 |
|
Na11 .98501 .27302 .33573 .80 .02071 |
|
Na12 .48787 .22765 -.17178 .90 .02836 |
|
Na13 .08484 .22981 .23605 .66 .0242 |
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Na14 .72461 .25403 .07985 .81 .01986 |
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Na15 .93188 .24718 -.11657 .92 .01751 |
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Na16A .59083 .25046 -.28804 .35 .0245 |
|
Na16B .67976 .24262 .64754 .53 .0495 |
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Al1 .79342 .40049 -.250217 .75 .01107 |
|
Fe1 .79342 .40049 -.250217 .25 .01107 |
|
Al2 .69418 .08221 -.157387 .90 .01052 |
|
Fe2 .69418 .08221 -.157387 .10 .01052 |
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Al3 .57235 .41914 .525267 .00351 |
|
Al4 .47268 -.09917 .117278 .80 .00208 |
|
Fe4 .47268 -.09917 .117278 .20 .00208 |
|
Al5 .37424 .59111 .221204 .85 .00431 |
|
Fe5 .37424 .59111 .221204 .15 .00431 |
|
Al6 .96999 .41537 .125472 .65 .00488 |
|
Fe6 .96999 .41537 .125472 .35 .00488 |
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Al7 -.10993 -.09204 .146562 .60 .01560 |
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Fe7 -.10993 -.09204 .146562 .40 .01560 |
|
Al8 .29549 .08434 .242488 .55 .01013 |
|
Fe8 .29549 .08434 .242488 .45 .01013 |
|
P1 .40451 .13325 .149780 .00270 |
|
P2 .70158 .34239 -.146100 .00683 |
|
P3 .30326 .34825 .254888 .01117 |
|
P4 .60296 .13651 -.053852 .00400 |
|
P5 .09267 .35153 .453335 .00817 |
|
P6 .38566 .46182 .438171 .00596 |
|
P7 .20642 .13427 .350232 .00983 |
|
P8 .05772 .36556 .019263 .00412 |
|
P9 .26631 .36545 -.183968 .00297 |
|
P10 .18281 .53312 .137842 .00137 |
|
P11 -.01870 .53721 .334166 .00215 |
|
P12 .49317 .35141 .051195 .00500 |
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P13 .86100 .36353 .218308 .01234 |
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P14 .78064 .46884 .039804 .00417 |
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P15 .58530 .47681 .236910 .00742 |
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P16 .56115 .15930 .512140 .00521 |
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P17 .90598 .35024 -.338620 .00485 |
|
P18 .35949 .15185 .706162 .00834 |
|
P19 .17135 -.14968 .414128 .00700 |
|
P20 .45191 .35655 .611792 .00828 |
|
P21 .81359 .14265 -.244013 .00365 |
|
P22 .28070 .03746 .533001 .01142 |
|
P23 -.03808 .15713 .112944 .00717 |
|
P24 .99974 .86526 .052822 .01038 |
|
P25 .66273 .36195 .422512 .00906 |
|
P26 .07963 -.03521 .228426 .01205 |
|
P27 .48299 .03191 .328111 .00939 |
|
P28 .77105 .15108 .315770 .00953 |
|
P29 .87654 .03654 -.071562 .00686 |
|
P30 .67863 .02137 .129560 .00855 |
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O1 .21674 -.03608 .55823 .00800 |
|
O2 .30747 .52669 .45980 .00884 |
|
O3 .55305 .24152 -.07716 .00662 |
|
O4 .13792 .42569 -.00332 .0156 |
|
O5 .26556 -.09814 .39878 .0161 |
|
O6 .02764 .43360 .06233 .01349 |
|
O7 .56643 .34517 .37922 .00524 |
|
O8 .30991 .26048 -.16335 .01285 |
|
O9 .10025 .25998 .03795 .01167 |
|
O10 .96005 .35101 -.02412 .00439 |
|
O11 .05505 .09923 .10029 .01215 |
|
O12 .10441 .46673 .15967 .00723 |
|
O13 .95140 .75988 .02974 .01015 |
|
O14 .65420 .10117 .50142 .01293 |
|
O15 .16566 .34821 -.22387 .00663 |
|
O16 .34273 .41832 -.21353 .0158 |
|
O17 .74498 .40956 -.18626 .00833 |
|
O18 .35094 .34781 .57111 .00242 |
|
O19 .52839 .41795 .58836 .00889 |
|
O20 .69992 .53628 .05839 .01143 |
|
O21 .24399 .43814 -.14169 .01137 |
|
O22 .47675 .16285 .46343 .01086 |
|
O23 .13444 .62318 .10132 .0145 |
|
O24 .78532 .33406 -.09730 .01150 |
|
O25 .74106 .42447 .40152 .0167 |
|
O26 .93476 .42518 -.38113 .00639 |
|
O27 .20255 -.25660 .43799 .01348 |
|
O28 .41603 -.03911 .35302 .00676 |
|
O29 .62840 .42879 .46387 .01291 |
|
O30 .83757 .40431 .08445 .0160 |
|
O31 .39359 .25942 .72939 .0148 |
|
O32 .59542 .26980 .53243 .00873 |
|
O33 .94045 .41976 .19318 .0153 |
|
O34 .17881 .33998 .50054 .01211 |
|
O35 .05775 .23797 .43070 .0172 |
|
O36 .83398 .07894 -.29107 .00786 |
|
O37 .35373 .23522 .12187 .00944 |
|
O38 .13296 -.08505 .45456 .01144 |
|
O39 .08643 -.15824 .36562 .00984 |
|
O40 .82687 .44146 .25733 .0181 |
|
O41 .38564 .33355 .30288 .0154 |
|
O42 .66691 .22807 -.16540 .01098 |
|
O43 .76580 .34054 .17681 .01007 |
|
O44 .81219 -.03374 -.04447 .01054 |
|
O45 .44443 .09943 .68411 .00792 |
|
O46 .50033 .54248 .25414 .01367 |
|
O47 .15971 .24161 .32926 .01223 |
|
O48 -.09081 .47377 .36042 .00991 |
|
O49 .86311 .09522 .30078 .0157 |
|
O50 .62893 .41009 .28331 .0185 |
|
O51 .33591 .37573 .40039 .01245 |
|
O52 .60487 -.05228 .14905 .01168 |
|
O53 .49222 .24690 .62693 .00701 |
|
O54 .44568 .39669 .48218 .01333 |
|
O55 .02075 -.09473 .18161 .0162 |
|
O56 .72680 .07864 .35170 .0183 |
|
O57 .99830 .33464 -.29590 .01162 |
|
O58 -.00538 .26714 .13345 .0171 |
|
O59 .24299 .59459 .18395 .00918 |
|
O60 .92641 .12551 -.03418 .00932 |
|
O61 .73557 .38117 .00046 .01432 |
|
O62 .33624 .11596 .57466 .01071 |
|
O63 .45508 .24769 .02116 .0178 |
|
O64 .81893 .10055 -.11790 .00770 |
|
O65 .84668 .54479 .01315 .01240 |
|
O66 .01658 .03671 .25543 .01057 |
|
O67 .80800 .25312 .34477 .01258 |
|
O68 .57329 .32516 .09826 .0152 |
|
O69 .24755 .45956 .11058 .00754 |
|
O70 .44955 .53859 .41109 .01040 |
|
O71 .65900 .55698 .21859 .00892 |
|
O72 -.07492 .61498 .29190 .0135 |
|
O73 .33097 .08621 .74854 .01115 |
|
O74 .34429 .42177 .21548 .0146 |
|
O75 .42731 .41867 .65698 .01288 |
|
O76 .71743 .10078 .17361 .00970 |
|
O77 .23472 .06822 .30574 .00835 |
|
O78 .04399 .61567 .37223 .01322 |
|
O79 .54787 .39828 .19414 .0222 |
|
O80 .90513 .26569 .24341 .0202 |
|
O81 .13094 .42505 .41315 .01287 |
|
O82 .22005 .11377 .49369 .0182 |
|
O83 .52108 .09972 .55400 .00873 |
|
O84 .26508 .16070 .66199 .00867 |
|
O85 -.08032 .09769 .15288 .0139 |
|
O86 .12953 -.12225 .26584 .00674 |
|
O87 .04835 .45882 .30885 .00978 |
|
O88 .43619 .05660 .10980 .00436 |
|
O89 .35092 -.02842 .50509 .00869 |
|
O90 .16076 .03474 .20832 .01193 |
|
O91 .70690 .25683 .44061 .0194 |
|
O92 -.12272 .16204 .06349 .01157 |
|
O93 .76983 .25342 -.26072 .0152 |
|
O94 .42531 .09673 .28182 .01164 |
|
O95 .53982 .42982 .01535 .00229 |
|
O96 .52061 .07131 -.03253 .00336 |
|
O97 .52904 .11732 .36690 .00860 |
|
O98 -.00115 .40579 .46737 .00596 |
|
O99 .39952 .40659 .06559 .00634 |
|
O100 .09993 .84941 .09008 .01351 |
|
O101 .69617 .15663 -.01354 .0191 |
|
O102 .73065 .07875 -.22295 .00779 |
|
O103 .95583 -.03388 -.09308 .01104 |
|
O104 .63384 .06660 -.09710 .00571 |
|
O105 .60822 .40277 -.13401 .01022 |
|
O106 .31936 .07558 .17254 .00563 |
|
O107 .12350 .07310 .37180 .00918 |
|
O108 .91868 .92445 .07651 .00671 |
|
O109 .68989 .17131 .26779 .0193 |
|
O110 .91405 .15518 -.20477 .0152 |
|
O111 .20808 .40305 .26748 .01288 |
|
O112 .49662 .16456 .18931 .0166 |
|
O113 .30233 .14815 .38997 .0151 |
|
O114 .81511 .40349 -.31995 .0142 |
|
O115 .02269 .93559 .00856 .01119 |
|
O116 .56112 -.03936 .30709 .00565 |
|
O117 .63717 .08731 .08159 .0147 |
|
O118 .86856 .24001 -.36275 .01258 |
|
O119 .76211 -.04835 .11325 .01068 |
|
O120 .26863 .23497 .23250 .0172 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cupropolybasite |
| |
Bindi L, Evain M, Spry P G, Tait K T, Menchetti S |
| |
Mineralogical Magazine 71 (2007) 641-650 |
|
Structural role of copper in the minerals of the pearceite-polybasite group: |
|
the case of the new minerals cupropearceite and cupropolybasite |
|
Locality: Premier mine, Stewart, British Columbia, Canada |
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_database_code_amcsd 0014581 |
|
7.3277 7.3277 11.7752 90 90 120 P-3m1 |
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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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Ag1 .2954 .14769 .38437 .451 .0518 .0620 .0384 .0627 .0310 -.0052 -.0026 |
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Cu1 .2954 .14769 .38437 .549 .0518 .0620 .0384 .0627 .0310 -.0052 -.0026 |
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Ag2 .3568 .113 .1236 .356 .312 .0401 .73 .0510 .103 .0064 .020 |
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Ag3 .3046 -.0841 .1186 .394 .139 .230 .177 .057 .137 -.0329 -.030 |
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Sb 1/3 2/3 .41428 .691 .0245 .0253 .0253 .0228 .01265 0 0 |
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As 1/3 2/3 .41428 .309 .0245 .0253 .0253 .0228 .01265 0 0 |
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Cu2 0 0 0 .0320 .0396 .0396 .0168 .0198 0 0 |
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S1 0 0 .1833 .0322 .0408 .0408 .0150 .0204 0 0 |
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S2 .0100 .50499 .31516 .0269 .0221 .0247 .0330 .0110 .0016 .0008 |
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S3 2/3 1/3 .0202 .0463 .0484 .0484 .0421 .0242 0 0 |
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S4 0 0 .5 .113 .146 .146 .047 .073 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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Davidlloydite |
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Hawthorne F C, Cooper M A, Abdu Y A, Ball N A, Back M E, Tait K T |
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Mineralogical Magazine 76 (2012) 45-57 |
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Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral |
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from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: |
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description and crystal structure |
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Locality: Tsumeb, Namibia |
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_database_code_amcsd 0018665 |
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5.9756 7.6002 5.4471 84.2892 90.4920 87.9958 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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Zn1 0 .5 .5 .6 .01224 .01425 .01053 .01178 .00005 .00126 -.00034 |
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Cu1 0 .5 .5 .4 .01224 .01425 .01053 .01178 .00005 .00126 -.00034 |
|
Zn2 .23922 .10407 .81081 .01226 .01204 .01445 .01032 .00121 -.00006 -.00186 |
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As .25896 .87032 .33696 .00916 .00945 .00940 .00869 .00002 .00025 -.00125 |
|
O1 .4813 .7644 .2259 .0153 .0119 .0140 .0204 .0007 .0037 -.0045 |
|
O2 .2996 .8972 .6354 .0146 .0200 .0144 .0096 .0007 -.0011 -.0027 |
|
O3 .0271 .7464 .3144 .0128 .0103 .0120 .0157 -.0014 -.0012 .0002 |
|
O4 .1952 .0630 .1674 .0145 .0209 .0116 .0105 .0015 -.0006 .0010 |
|
O5 .2229 .4010 .2726 .0181 .0253 .0134 .0155 .0009 .0037 -.0007 |
|
O6 .2711 .5420 .7834 .0208 .0190 .0162 .0270 -.0009 .0031 -.0008 |
|
H1 .211 .2762 .245 .039 |
|
H2 .232 .453 .101 .056 |
|
H3 .413 .481 .748 .058 |
|
H4 .325 .662 .791 .059 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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