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Susannite |
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Steele I M, Pluth J J, Livingstone A |
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European Journal of Mineralogy 11 (1999) 493-499 |
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Crystal structure of susannite, Pb4SO4(CO3)2(OH)2: |
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a trimorph with macphersonite and leadhillite |
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Locality: Leadhills, Scotland |
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_database_code_amcsd 0006779 |
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9.0718 9.0718 11.570 90 90 120 P3 |
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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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Pb1 .6677 -.0113 .0178 .0164 .0178 .0156 .0164 .0088 -.0002 -.0012 |
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Pb2 .3465 .0123 .8136 .0163 .0164 .0164 .0141 .0067 .0002 .0000 |
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Pb3 .6713 .9454 .5892 .0499 .093 .0496 .0274 .0507 .0020 .0135 |
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Pb4 .6612 .6117 .2382 .0583 .137 .0433 .0205 .064 -.0013 -.0000 |
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S1 2/3 1/3 .430 .034 .047 .047 .007 .024 0 0 |
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S2 1/3 2/3 .412 .030 .036 .036 .019 .018 0 0 |
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S3 0 0 .411 .032 .037 .037 .021 .018 0 0 |
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OH1 .665 .052 .205 .024 |
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OH2 .309 -.018 .619 .047 |
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O3 .857 -.142 .060 .013 |
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O4 .478 -.328 .060 .017 |
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O5 .664 .474 .043 .011 |
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O6 .477 -.192 .773 .023 |
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O7 -.002 -.144 .775 .024 |
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O8 .525 .336 .756 .031 |
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O9 2/3 1/3 .304 .04 |
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O10 .835 .382 .467 .13 |
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O11 1/3 2/3 .535 .09 |
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O12 .505 .767 .371 .14 |
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O13 0 0 .533 .06 |
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O14 .169 .11 .369 .21 |
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C1 0 0 .073 .013 |
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C2 1/3 -1/3 .070 .017 |
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C3 2/3 1/3 .047 .011 |
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C4 1/3 -1/3 .777 .023 |
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C5 0 0 .781 .024 |
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C6 2/3 1/3 .760 .031 |
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Macphersonite |
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Steele I M, Pluth J J, Livingstone A |
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Mineralogical Magazine 62 (1998) 451-459 |
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Crystal structure of macphersonite (Pb4SO4(CO3)2(OH)2): comparison with leadhillite |
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Locality: Leadhills-Wanlockhead orefield, Scotland |
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Note: space group changed from Pcab to Pbca |
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_database_code_amcsd 0014534 |
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9.242 23.050 10.383 90 90 90 Pbca |
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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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Pb1 .06550 .44671 .87282 .0166 .0111 .0179 .0208 .0006 -.0002 -.0002 |
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Pb2 .39976 .54944 .88805 .0164 .0122 .0182 .0187 .0003 -.0005 .0009 |
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Pb3 .13688 .83923 .91390 .0199 .0174 .0180 .0242 -.0027 -.0034 -.0011 |
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Pb4 .53367 .66070 .65959 .0238 .0188 .0222 .0303 -.0030 .0024 .0027 |
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S .2642 .7562 .6177 .0175 .011 .017 .025 -.001 -.002 -.001 |
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OH1 .100 .3529 .916 .024 .014 .014 .044 .007 -.006 -.001 |
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O2 .388 .5654 .6361 .016 .003 .026 .020 .001 .001 -.002 |
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O3 .112 .4219 .6375 .019 .012 .037 .006 -.003 .001 .000 |
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O4 .176 .9255 .739 .023 .009 .040 .020 .003 .002 -.004 |
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OH5 .438 .6453 .870 .023 .020 .015 .033 .002 .004 .001 |
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O6 .180 .5656 .741 .018 .011 .021 .022 .003 .004 .009 |
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O7 -.187 .4233 .977 .022 .010 .031 .024 .003 -.005 -.001 |
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O8 .734 .6948 .851 .030 .033 .023 .036 -.010 .002 -.009 |
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O9 .416 .7648 .649 .037 .019 .033 .059 -.014 -.010 .011 |
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O10 .682 .5632 .974 .017 .014 .017 .020 .001 .008 -.002 |
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O11 .238 .7650 .478 .028 .035 .020 .028 .001 -.001 .001 |
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O12 .172 .7949 .691 .045 .059 .052 .023 .026 -.006 -.012 |
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C1 .248 .5648 .634 .011 .011 .001 .021 .000 .002 .000 |
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C2 .251 .9237 .633 .014 .008 .014 .019 -.003 .003 .006 |
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Mattheddleite |
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Steele I M, Pluth J J, Livingstone A |
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Mineralogical Magazine 64 (2000) 915-921 |
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Crystal structure of mattheddleite: a Pb, S, Si phase with the apatite structure |
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Locality: Leadhills, Scotland |
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_database_code_amcsd 0014546 |
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10.0056 10.0056 7.4960 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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Pb1 1/3 2/3 .0057 5/8 .0331 .0364 .0364 .0264 .0182 0 0 |
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Pb2 .2507 -.0004 .2136 5/8 .0402 .0296 .0415 .050 .0182 .0176 .0058 |
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Si .4058 .3814 .25 .5 .014 .013 .010 .020 .008 0 0 |
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S .4058 .3814 .25 .5 .014 .013 .010 .020 .008 0 0 |
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O1 .332 .487 .25 .028 .034 .033 .025 .023 0 0 |
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O2 .589 .480 .25 .039 .010 .040 .059 .007 0 0 |
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O3 .357 .275 .082 .038 .055 .032 .035 .029 -.007 -.003 |
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Cl 0 0 0 .57 .035 .032 .032 .042 .016 0 0 |
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OH 0 0 0 .43 .035 .032 .032 .042 .016 0 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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