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Sampleite |
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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: Northparkes mine, Goonumbla, New South Wales, Australia |
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_database_code_amcsd 0007196 |
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9.676 19.284 9.766 90 90.07 90 P2_1/n |
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atom x y z Uiso |
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Na .2865 .1032 .6398 .0112 |
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Ca .76999 .09306 .14427 .0043 |
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Cu1 .04881 .21185 .14075 .0032 |
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Cu2 .51567 .22076 .14043 .0033 |
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Cu3 .28372 .21763 .36863 .0029 |
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Cu4 .28443 .21228 -.08722 .0035 |
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Cu5 .78575 .09295 .64142 .0033 |
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P1 -.0109 .15821 .4326 .0029 |
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P2 -.0086 .15469 .8503 .0025 |
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P3 .5786 .16499 .4328 .0026 |
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P4 .5786 .16071 .8473 .0023 |
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O1 -.0688 .0928 .5009 .0040 |
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O2 -.0488 .1578 .2768 .0036 |
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O3 .1457 .1601 .4592 .0105 |
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O4 -.0753 .2255 .4961 .0059 |
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O5 -.0691 .0890 .7827 .0057 |
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O6 .1466 .1560 .8222 .0056 |
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O7 -.0460 .1547 1.0041 .0041 |
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O8 -.0751 .2220 .7829 .0028 |
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O9 .6477 .1018 .4968 .0077 |
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O10 .4217 .1638 .4620 .0068 |
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O11 .6133 .1673 .2766 .0050 |
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O12 .6365 .2332 .4974 .0031 |
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O13 .6473 .0967 .7855 .0064 |
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O14 .4233 .1585 .8193 .0061 |
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O15 .6372 .2293 .7801 .0049 |
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O16 .6137 .1648 1.0037 .0037 |
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Cl .2911 .13745 .1425 .0053 |
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Wat1 .8509 .0009 .2984 .0077 |
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Wat2 .2394 .0236 .3825 .0175 |
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Wat3 .4579 .0169 .6121 .0340 |
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Wat4 .8390 .0043 -.0063 .0113 |
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Wat5 .5576 .0242 .1337 .0354 |
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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 (permalink) |
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Sampleite |
|
Giester G, Kolitsch U, Leverett P, Turner P, Williams P A |
| |
European Journal of Mineralogy 19 (2007) 75-93 |
|
The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite |
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Locality: Lake Boga, Victoria, Australia |
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Note: This is a polymorph or perhaps polytype of sampleite |
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_database_code_amcsd 0007197 |
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9.695 9.673 19.739 90 102.61 90 P2_1/c |
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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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Na .1870 .2080 .6027 .0430 .030 .035 .062 -.004 .005 .011 |
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Ca .3191 .2770 .40528 .0233 .0317 .0167 .0204 -.0051 .0032 .0027 |
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Cu1 .73327 .05287 .21307 .0185 .0081 .0171 .0306 -.0017 .0051 -.0020 |
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Cu2 .26393 .02044 .27943 .0190 .0106 .0182 .0285 .0006 .0047 -.0016 |
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Cu3 -.03815 .28727 .21499 .0152 .0141 .0081 .0242 -.0022 .0057 -.0012 |
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Cu4 .50696 .28915 .21511 .0171 .0134 .0105 .0269 .0011 .0031 .0012 |
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Cu5 .81906 .28848 .40553 .0173 .0157 .0108 .0249 .0002 .0035 .0000 |
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P1 .4195 -.0036 .15683 .0141 .0103 .0088 .0229 .0015 .0030 -.0010 |
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P2 -.0013 -.0080 .15795 .0151 .0117 .0105 .0244 -.0012 .0071 .0004 |
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P3 .5808 .0843 .33693 .0147 .0120 .0081 .0226 -.0047 .0007 .0005 |
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P4 -.0045 .0824 .33647 .0152 .0119 .0100 .0229 .0017 .0016 -.0020 |
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O1 .3184 -.0642 .0923 .022 .016 .021 .025 .007 -.006 -.005 |
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O2 .3939 .1496 .1574 .021 .017 .009 .036 .009 .003 -.007 |
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O3 .5725 -.0420 .1565 .024 .011 .024 .034 .001 .003 .006 |
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O4 .3838 -.0690 .2242 .021 .020 .019 .026 -.015 .006 .003 |
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O5 .0378 -.0627 .0927 .021 .018 .011 .033 .009 .006 .003 |
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O6 -.1522 -.0407 .1579 .0157 .000 .023 .023 -.004 .000 .000 |
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O7 .0255 .1480 .1589 .029 .040 .018 .033 .003 .015 .000 |
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O8 .0971 -.0708 .2241 .020 .011 .023 .026 .002 .004 .001 |
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O9 .6688 .1537 .4000 .027 .012 .028 .041 -.020 .003 -.010 |
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O10 .4218 .1165 .3339 .0176 .005 .020 .027 -.003 .002 -.001 |
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O11 .6123 -.0709 .3388 .023 .000 .020 .049 -.001 .003 -.008 |
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O12 .6183 .1436 .2693 .019 .013 .017 .029 .009 .012 .006 |
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O13 -.0375 .1497 .4000 .022 .019 .016 .034 .002 .010 .000 |
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O14 .1483 .1139 .3353 .022 .020 .033 .015 .025 .010 .000 |
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O15 -.1004 .1405 .2697 .020 .018 .014 .028 .003 .003 -.006 |
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O16 -.0315 -.0694 .3395 .019 .007 .011 .045 -.008 .015 -.011 |
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Cl .7001 .2933 .13837 .0226 .0176 .0204 .0296 .0020 .0048 .0035 |
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Wat1 .2042 .3515 .4962 .042 .024 .058 .041 -.003 .001 .001 |
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Wat2 -.1252 .2682 .5214 .056 .078 .059 .026 -.016 .002 -.004 |
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Wat3 .115 .045 .5142 .56 .059 .10 .020 .08 .010 .06 .000 |
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Wat4 .5083 .3408 .4955 .040 .030 .037 .054 -.009 .007 .007 |
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Wat5 .356 .0615 .4766 .076 .090 .064 .084 -.032 .040 -.016 |
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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 (permalink) |
| |
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