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Lavendulan |
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Giester G, Kolitsch U, Leverett P, Turner P, Williams P A |
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European Journal of Mineralogy 19 (2007) 75-93 |
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The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite |
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Locality: Hilarion mine, Lavrion, Greece |
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_database_code_amcsd 0007195 |
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10.011 19.478 10.056 90 90.37 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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Na .2902 .1083 .6475 .0309 .0259 .042 .0248 .0036 .0008 -.0016 |
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Ca .78303 .09544 .13674 .0207 .0172 .0260 .0188 .0012 .0000 .0001 |
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Cu1 .05806 .21004 .13981 .0175 .0167 .0253 .0105 -.0032 -.0002 -.0001 |
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Cu2 .52395 .21604 .14172 .0178 .0158 .0264 .0113 .0025 .0005 .0002 |
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Cu3 .29061 .21147 .36580 .0172 .0113 .0242 .0160 -.0001 -.0006 .0027 |
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Cu4 .29423 .21174 -.08393 .0175 .0116 .0262 .0147 -.0002 .0003 -.0026 |
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Cu5 .79415 .09098 .64051 .01656 .0130 .0242 .0125 -.0001 .0002 -.0006 |
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As1 -.00500 .15757 .43069 .01576 .0125 .0236 .0112 -.0005 .0009 .0002 |
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As2 .00026 .15848 .84746 .01530 .0118 .0230 .0111 -.0003 -.0005 -.0007 |
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As3 .58430 .16290 .43480 .01555 .0123 .0224 .0119 .0003 -.0006 .0004 |
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As4 .58955 .16303 .84879 .01553 .0119 .0230 .0117 .0005 .0012 -.0004 |
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O1 -.0729 .0882 .4986 .0216 .021 .027 .017 -.004 .008 .001 |
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O2 -.0455 .1587 .2685 .0207 .027 .025 .010 -.009 .001 .001 |
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O3 .1605 .1539 .4595 .0224 .008 .032 .026 -.001 .001 .007 |
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O4 -.0663 .2307 .5016 .0178 .014 .026 .014 .001 -.003 -.002 |
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O5 -.0622 .0883 .7728 .0210 .017 .025 .021 -.002 -.004 -.002 |
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O6 .1646 .1601 .8155 .0221 .008 .036 .023 .002 -.003 -.009 |
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O7 -.0405 .1570 1.0086 .0219 .018 .033 .016 -.006 -.001 -.001 |
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O8 -.0697 .2312 .7804 .0191 .020 .026 .012 -.001 -.001 .003 |
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O9 .6513 .0936 .5050 .0227 .023 .027 .018 .001 -.008 .003 |
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O10 .4212 .1617 .4674 .0234 .013 .036 .021 .002 .001 .010 |
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O11 .6239 .1627 .2722 .0201 .025 .028 .008 .007 -.004 .001 |
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O12 .6494 .2361 .5021 .0171 .015 .025 .011 -.003 .0036 -.0026 |
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O13 .6656 .0954 .7840 .0229 .022 .029 .017 .002 .008 -.002 |
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O14 .4250 .1604 .8191 .0201 .009 .031 .020 .002 .000 -.007 |
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O15 .6482 .2374 .7790 .0179 .019 .022 .013 .001 .002 .0044 |
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O16 .6329 .1680 1.0119 .0204 .018 .032 .011 .004 .001 -.002 |
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Cl .30063 .13529 .1362 .0244 .0246 .0276 .0209 -.0016 .0004 .0018 |
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Wat1 .8525 .0042 .2943 .0320 .033 .038 .024 .002 -.005 -.006 |
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Wat2 .2341 .0227 .3557 .046 .070 .027 .040 -.002 .017 .002 |
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Wat3 .4415 .0202 .6420 .0361 .032 .043 .033 -.008 .009 -.002 |
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Wat4 .8513 .0069 -.0096 .0383 .043 .044 .028 -.004 .006 -.005 |
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Wat5 .5882 .0224 .1097 .054 .053 .065 .042 -.030 -.006 .011 |
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