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Boralsilite |
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Grew E S, Graetsch H A, Poter B, Yates M G, Buick I, Bernhardt H-J, Schreyer W, |
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Werding G, Carson C J, Clarke G L |
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American Mineralogist 93 (2008) 283-299 |
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Boralsilite, Al16B6Si2O37, and "boron-mullite:" compositional variations and |
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associated phases in experiment and nature |
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Locality: synthetic |
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Sample: run W2 |
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_database_code_amcsd 0004524 |
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14.797 5.5800 15.095 90 91.750 90 C2/m |
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atom x y z occ Uiso |
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Al1 .868 0 .343 .030 |
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Al2 .814 0 .160 .024 |
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Al3 .574 0 .074 .021 |
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Al4 .676 0 .339 .012 |
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Al5 .004 .255 .246 .019 |
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Al6 .75 .25 0 .017 |
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Al7 .75 .25 .5 .010 |
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Si .424 0 .419 .86 .007 |
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B .424 0 .419 .14 .007 |
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B1 .096 0 .098 .007 |
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B2 .379 0 .118 .88 .007 |
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Si2 .379 0 .118 .12 .007 |
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B3 .138 0 .360 .007 |
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O1 .764 0 .269 .010 |
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O2 .798 0 .440 .010 |
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O3 .919 0 .218 .010 |
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O4 .936 .739 .357 .010 |
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O5 0 .5 .5 .010 |
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O6 .325 0 .457 .010 |
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O7 .322 .214 .106 .010 |
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O8 .702 0 .074 .010 |
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O9 .068 .214 .134 .010 |
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O10 .452 0 .048 .010 |
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O11 .166 .214 .397 .010 |
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O12 .578 0 .280 .010 |
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O13 .421 0 .204 .010 |
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O14 .069 0 .296 .010 |
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O15 .167 0 .041 .010 |
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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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Dravite |
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Hughes J M, Rakovan J, Ertl A, Rossman G R, Baksheev I, Bernhardt H-J |
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The Canadian Mineralogist 49 (2011) 29-40 |
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Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned |
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triclinic Ni-bearing dravite |
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Locality: Berezovskoe gold deposit, Middle Urals, Russia |
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_database_code_amcsd 0018457 |
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15.903 15.9118 7.2304 90.063 89.793 119.742 P1 |
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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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Na1 0 0 .25 .96 .0267 .026 .028 .026 .013 .005 .004 |
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Sia .8575 .5240 .3510 .0047 .0037 .0046 .0053 .0016 .0009 .0011 |
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Sib .6633 .5231 .3490 .0050 .0051 .0047 .0057 .0030 .0010 .0004 |
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Sic .4768 .3355 .3508 .0052 .0043 .0049 .0064 .0024 .0015 .0012 |
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Sid .8564 .3355 .3542 .0049 .0046 .0052 .0056 .0029 .0002 .0017 |
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Sie .6634 .1423 .3543 .0048 .0039 .0051 .0057 .0024 .0008 .0020 |
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Sif .4762 .1422 .3527 .0049 .0044 .0048 .0060 .0028 .0016 .0020 |
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AlaY .6049 .3939 -.0125 .292 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
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MgaY .6049 .3939 -.0125 .344 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
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FeaY .6049 .3939 -.0125 .364 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
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AlbY .7891 .3944 -.0098 .375 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
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MgbY .7891 .3944 -.0098 .344 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
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CrbY .7891 .3944 -.0098 .022 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
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FebY .7891 .3944 -.0098 .269 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
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AlcY .6043 .2097 -.0088 .399 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
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MgcY .6043 .2097 -.0088 .098 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
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CrcY .6043 .2097 -.0088 .238 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
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NicY .6043 .2097 -.0088 .112 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
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AlaZ .6305 .7026 .2960 .936 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
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MgaZ .6305 .7026 .2960 .064 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
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AlbZ .9632 .7024 .6287 .801 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
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MgbZ .9632 .7024 .6287 .166 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
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NibZ .9632 .7024 .6287 .033 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
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AlcZ .0715 .7027 .2956 .946 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
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MgcZ .0715 .7027 .2956 .045 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
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NicZ .0715 .7027 .2956 .010 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
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AldZ .7381 .7022 .6284 .387 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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MgdZ .7381 .7022 .6284 .542 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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VdZ .7381 .7022 .6284 .031 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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FedZ .7381 .7022 .6284 .002 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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TidZ .7381 .7022 .6284 .039 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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AleZ .9629 .2613 .6289 .915 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
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MgeZ .9629 .2613 .6289 .082 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
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NieZ .9629 .2613 .6289 .003 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
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AlfZ .9643 .5948 -.0380 .629 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
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MgfZ .9643 .5948 -.0380 .316 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
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CrfZ .9643 .5948 -.0380 .055 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
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B1 .7805 .8905 .4686 .0082 .009 .010 .008 .006 .002 .003 |
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B2 .7752 .5522 -.1934 .0075 .006 .009 .007 .004 .002 .002 |
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B3 .1099 .8892 .4754 .0081 .006 .006 .010 .001 .003 .005 |
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O1a .6653 .3307 .1192 .0127 .013 .014 .013 .008 .001 -.001 |
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O2a .5448 .2700 -.1586 .0010 .006 .011 .010 .003 .002 .003 |
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O2b .7259 .2699 -.1543 .0100 .010 .012 .011 .008 .001 .003 |
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O2c .7278 .4539 -.1604 .0099 .009 .007 .012 .003 .002 -.000 |
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O3a .5351 .4637 -.1352 .0125 .014 .012 .003 .000 .001 .001 |
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H3a .529 .453 -.229 .00 |
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O3b .8763 .7469 .5287 .0148 .017 .026 .005 .013 .001 -.000 |
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H3b .874 .744 .45 .02 |
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O3c .9251 .4605 -.1374 .0138 .029 .020 .003 .020 .000 .001 |
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H3c .926 .460 -.251 .05 |
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O4a .7604 .5238 .4208 .0100 .005 .016 .011 .007 .001 .000 |
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O4b .4790 .2406 .4255 .0114 .021 .007 .011 .011 .004 .004 |
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O4c .7567 .2427 .4238 .0111 .006 .008 .010 -.003 .002 .003 |
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O5a .5747 .4248 .4424 .0091 .005 .006 .012 -.001 -.003 .003 |
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O5b .5714 .1463 .4485 .0093 .008 .015 .009 .009 .001 .003 |
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O5c .8500 .4268 .4448 .0093 .013 .007 .011 .007 .002 .002 |
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O6a .8593 .5164 .1291 .0110 .014 .015 .007 .009 .000 -.001 |
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O6b .6548 .5166 .1270 .0098 .011 .011 .006 .004 -.002 -.002 |
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O6c .6554 .1393 .1324 .0089 .011 .012 .005 .007 -.001 .003 |
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O6d .8617 .3445 .1315 .007 .009 .009 .004 .005 .002 .003 |
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O6e .4813 .3429 .1281 .0085 .008 .009 .008 .004 .002 .003 |
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O6f .4853 .1433 .1326 .0098 .011 .011 .008 .006 .005 .003 |
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O7a .6611 .6166 .4212 .0102 .014 .008 .011 .007 .002 .001 |
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O7b .9524 .6191 .4257 .0081 .006 .006 .007 -.001 -.002 -.002 |
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O7c .6685 .0509 .4318 .0088 .010 .008 .011 .006 .004 .007 |
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O7d .3797 .0487 .4263 .0072 .005 .007 .009 .003 .002 .002 |
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O7e .3823 .3351 .4271 .0107 .004 .014 .014 .005 .003 -.001 |
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O7f .9468 .3308 .4354 .0103 .011 .014 .010 .009 -.003 .001 |
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O8a .8742 .6019 -.2133 .0123 .007 .012 .020 .006 .006 .006 |
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O8b .0620 .7907 .4573 .0100 .007 .008 .012 .001 .003 -.003 |
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O8c .2088 .9398 .4606 .0084 .007 .005 .010 .001 .003 -.001 |
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O8d .7297 .7924 .4452 .0103 .011 .008 .015 .006 -.004 -.002 |
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O8e .0652 .6082 .1286 .0100 .011 .007 .014 .006 -.002 -.001 |
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O8f .0591 .2678 .4669 .0107 .009 .009 .015 .0054 .0032 .0038 |
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Na1 .3333 .6667 .9167 .96 .0267 .026 .028 .026 .013 .005 .004 |
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Sia .1908 .1907 .0177 .0047 .0037 .0046 .0053 .0016 .0009 .0011 |
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Sib .9966 .1898 .0157 .0050 .0051 .0047 .0057 .0030 .0010 .0004 |
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Sic .8101 .0022 .0175 .0052 .0043 .0049 .0064 .0024 .0015 .0012 |
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Sid .1897 .0022 .0209 .0049 .0046 .0052 .0056 .0029 .0002 .0017 |
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Sie .9967 .8090 .0210 .0048 .0039 .0051 .0057 .0024 .0008 .0020 |
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Sif .8095 .8089 .0194 .0049 .0044 .0048 .0060 .0028 .0016 .0020 |
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AlaY .9382 .0606 .6542 .292 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
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MgaY .9382 .0606 .6542 .344 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
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FeaY .9382 .0606 .6542 .364 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
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AlbY .1224 .0611 .6569 .375 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
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MgbY .1224 .0611 .6569 .344 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
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CrbY .1224 .0611 .6569 .022 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
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FebY .1224 .0611 .6569 .269 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
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AlcY .9376 .8764 .6579 .399 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
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MgcY .9376 .8764 .6579 .098 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
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CrcY .9376 .8764 .6579 .238 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
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NicY .9376 .8764 .6579 .112 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
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AlaZ .9638 .3693 .9627 .936 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
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MgaZ .9638 .3693 .9627 .064 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
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AlbZ .2965 .3691 .2954 .801 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
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MgbZ .2965 .3691 .2954 .166 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
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NibZ .2965 .3691 .2954 .033 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
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AlcZ .4048 .3694 .9623 .946 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
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MgcZ .4048 .3694 .9623 .045 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
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NicZ .4048 .3694 .9623 .010 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
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AldZ .0714 .3689 .2951 .387 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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MgdZ .0714 .3689 .2951 .542 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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VdZ .0714 .3689 .2951 .031 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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FedZ .0714 .3689 .2951 .002 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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TidZ .0714 .3689 .2951 .039 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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AleZ .2962 .9280 .2956 .915 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
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MgeZ .2962 .9280 .2956 .082 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
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NieZ .2962 .9280 .2956 .003 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
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AlfZ .2976 .2615 .6287 .629 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
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MgfZ .2976 .2615 .6287 .316 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
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CrfZ .2976 .2615 .6287 .055 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
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B1 .1138 .5572 .1353 .0082 .009 .010 .008 .006 .002 .003 |
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B2 .1085 .2189 .4733 .0075 .006 .009 .007 .004 .002 .002 |
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B3 .4432 .5559 .1421 .0081 .006 .006 .010 .001 .003 .005 |
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O1a .9986 .9974 .7859 .0127 .013 .014 .013 .008 .001 -.001 |
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O2a .8781 .9367 .5081 .0010 .006 .011 .010 .003 .002 .003 |
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O2b .0592 .9366 .5124 .0100 .010 .012 .011 .008 .001 .003 |
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O2c .0611 .1206 .5063 .0099 .009 .007 .012 .003 .002 -.000 |
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O3a .8684 .1304 .5315 .0125 .014 .012 .003 .000 .001 .001 |
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H3a .8623 .1197 .4377 .00 |
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O3b .2096 .4136 .1954 .0148 .017 .026 .005 .013 .001 -.000 |
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H3b .2073 .4107 .1167 .02 |
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O3c .2584 .1272 .5293 .0138 .029 .020 .003 .020 .000 .001 |
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H3c .2593 .1267 .4157 .05 |
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O4a .0937 .1905 .0875 .0100 .005 .016 .011 .007 .001 .000 |
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O4b .8123 .9073 .0922 .0114 .021 .007 .011 .011 .004 .004 |
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O4c .0900 .9094 .0905 .0111 .006 .008 .010 -.003 .002 .003 |
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O5a .9080 .0915 .1091 .0091 .005 .006 .012 -.001 -.003 .003 |
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O5b .9047 .8130 .1152 .0093 .008 .015 .009 .009 .001 .003 |
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O5c .1833 .0935 .1115 .0093 .013 .007 .011 .007 .002 .002 |
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O6a .1926 .1831 .7958 .0110 .014 .015 .007 .009 .000 -.001 |
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O6b .9881 .1833 .7937 .0098 .011 .011 .006 .004 -.002 -.002 |
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O6c .9887 .8060 .7991 .0089 .011 .012 .005 .007 -.001 .003 |
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O6d .1950 .0112 .7982 .007 .009 .009 .004 .005 .002 .003 |
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O6e .8146 .0096 .7948 .0085 .008 .009 .008 .004 .002 .003 |
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O6f .8186 .8100 .7993 .0098 .011 .011 .008 .006 .005 .003 |
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O7a .9944 .2833 .0879 .0102 .014 .008 .011 .007 .002 .001 |
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O7b .2857 .2858 .0924 .0081 .006 .006 .007 -.001 -.002 -.002 |
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O7c .0018 .7176 .0985 .0088 .010 .008 .011 .006 .004 .007 |
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O7d .7130 .7154 .0930 .0072 .005 .007 .009 .003 .002 .002 |
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O7e .7156 .0018 .0938 .0107 .004 .014 .014 .005 .003 -.001 |
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O7f .2801 .9975 .1021 .0103 .011 .014 .010 .009 -.003 .001 |
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O8a .2075 .2686 .4534 .0123 .007 .012 .020 .006 .006 .006 |
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O8b .3953 .4574 .1240 .0100 .007 .008 .012 .001 .003 -.003 |
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O8c .5421 .6065 .1273 .0084 .007 .005 .010 .001 .003 -.001 |
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O8d .0630 .4591 .1119 .0103 .011 .008 .015 .006 -.004 -.002 |
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O8e .3985 .2749 .7953 .0100 .011 .007 .014 .006 -.002 -.001 |
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O8f .3924 .9345 .1336 .0107 .009 .009 .015 .0054 .0032 .0038 |
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Na1 .6667 .3333 .5833 .96 .0267 .026 .028 .026 .013 .005 .004 |
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Sia .5242 .8573 .6843 .0047 .0037 .0046 .0053 .0016 .0009 .0011 |
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Sib .3300 .8564 .6823 .0050 .0051 .0047 .0057 .0030 .0010 .0004 |
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Sic .1435 .6688 .6841 .0052 .0043 .0049 .0064 .0024 .0015 .0012 |
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Sid .5231 .6688 .6875 .0049 .0046 .0052 .0056 .0029 .0002 .0017 |
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Sie .3301 .4756 .6876 .0048 .0039 .0051 .0057 .0024 .0008 .0020 |
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Sif .1429 .4755 .6860 .0049 .0044 .0048 .0060 .0028 .0016 .0020 |
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AlaY .2716 .7272 .3208 .292 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
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MgaY .2716 .7272 .3208 .344 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
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FeaY .2716 .7272 .3208 .364 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
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AlbY .4558 .7277 .3235 .375 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
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MgbY .4558 .7277 .3235 .344 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
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CrbY .4558 .7277 .3235 .022 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
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FebY .4558 .7277 .3235 .269 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
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AlcY .2710 .5430 .3245 .399 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
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MgcY .2710 .5430 .3245 .098 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
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CrcY .2710 .5430 .3245 .238 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
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NicY .2710 .5430 .3245 .112 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
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AlaZ .2972 .0359 .6293 .936 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
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MgaZ .2972 .0359 .6293 .064 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
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AlbZ .6299 .0357 .9620 .801 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
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MgbZ .6299 .0357 .9620 .166 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
NibZ .6299 .0357 .9620 .033 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
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AlcZ .7382 .0360 .6289 .946 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
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MgcZ .7382 .0360 .6289 .045 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
NicZ .7382 .0360 .6289 .010 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
AldZ .4048 .0355 .9617 .387 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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MgdZ .4048 .0355 .9617 .542 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
VdZ .4048 .0355 .9617 .031 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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FedZ .4048 .0355 .9617 .002 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
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TidZ .4048 .0355 .9617 .039 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
AleZ .6296 .5946 .9622 .915 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
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MgeZ .6296 .5946 .9622 .082 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
NieZ .6296 .5946 .9622 .003 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
AlfZ .6310 .9281 .2953 .629 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
MgfZ .6310 .9281 .2953 .316 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
CrfZ .6310 .9281 .2953 .055 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
B1 .4472 .2238 .8019 .0082 .009 .010 .008 .006 .002 .003 |
|
B2 .4419 .8855 .1399 .0075 .006 .009 .007 .004 .002 .002 |
|
B3 .7766 .2225 .8087 .0081 .006 .006 .010 .001 .003 .005 |
|
O1a .3320 .6640 .4525 .0127 .013 .014 .013 .008 .001 -.001 |
|
O2a .2115 .6033 .1747 .0010 .006 .011 .010 .003 .002 .003 |
|
O2b .3926 .6032 .1790 .0100 .010 .012 .011 .008 .001 .003 |
|
O2c .3945 .7872 .1729 .0099 .009 .007 .012 .003 .002 -.000 |
|
O3a .2018 .7970 .1981 .0125 .014 .012 .003 .000 .001 .001 |
|
H3a .1957 .7863 .1043 .00 |
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O3b .5430 .0802 .8620 .0148 .017 .026 .005 .013 .001 -.000 |
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H3b .5407 .0773 .7833 .02 |
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O3c .5918 .7938 .1959 .0138 .029 .020 .003 .020 .000 .001 |
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H3c .5927 .7933 .0823 .05 |
|
O4a .4271 .8571 .7541 .0100 .005 .016 .011 .007 .001 .000 |
|
O4b .1457 .5739 .7588 .0114 .021 .007 .011 .011 .004 .004 |
|
O4c .4234 .5760 .7571 .0111 .006 .008 .010 -.003 .002 .003 |
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O5a .2414 .7581 .7757 .0091 .005 .006 .012 -.001 -.003 .003 |
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O5b .2381 .4796 .7818 .0093 .008 .015 .009 .009 .001 .003 |
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O5c .5167 .7601 .7781 .0093 .013 .007 .011 .007 .002 .002 |
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O6a .5260 .8497 .4624 .0110 .014 .015 .007 .009 .000 -.001 |
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O6b .3215 .8499 .4603 .0098 .011 .011 .006 .004 -.002 -.002 |
|
O6c .3221 .4726 .4657 .0089 .011 .012 .005 .007 -.001 .003 |
|
O6d .5284 .6778 .4648 .007 .009 .009 .004 .005 .002 .003 |
|
O6e .1480 .6762 .4614 .0085 .008 .009 .008 .004 .002 .003 |
|
O6f .1520 .4766 .4659 .0098 .011 .011 .008 .006 .005 .003 |
|
O7a .3278 .9499 .7545 .0102 .014 .008 .011 .007 .002 .001 |
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O7b .6191 .9524 .7590 .0081 .006 .006 .007 -.001 -.002 -.002 |
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O7c .3352 .3842 .7651 .0088 .010 .008 .011 .006 .004 .007 |
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O7d .0464 .3820 .7596 .0072 .005 .007 .009 .003 .002 .002 |
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O7e .0490 .6684 .7604 .0107 .004 .014 .014 .005 .003 -.001 |
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O7f .6135 .6641 .7687 .0103 .011 .014 .010 .009 -.003 .001 |
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O8a .5409 .9352 .1200 .0123 .007 .012 .020 .006 .006 .006 |
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O8b .7287 .1240 .7906 .0100 .007 .008 .012 .001 .003 -.003 |
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O8c .8755 .2731 .7939 .0084 .007 .005 .010 .001 .003 -.001 |
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O8d .3964 .1257 .7785 .0103 .011 .008 .015 .006 -.004 -.002 |
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O8e .7319 .9415 .4619 .0100 .011 .007 .014 .006 -.002 -.001 |
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O8f .7258 .6011 .8002 .0107 .009 .009 .015 .0054 .0032 .0038 |
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View JMOL 3-D Structure
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Skorpionite |
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Krause W, Effenberger H, Bernhardt H-J, Medenbach O |
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European Journal of Mineralogy 20 (2008) 271-280 |
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Skorpionite, Ca3Zn2(PO4)2CO3(OH)2*H2O, a new mineral from Namibia: description |
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and crystal structure |
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Locality: near Rosh Pinah mine, Luderitz district, Karas region, Namibia, Africa |
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_database_code_amcsd 0007259 |
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19.045 9.320 6.525 90 92.73 90 C2/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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Zn .170688 .04391 .41120 .01552 .01380 .01906 .01365 -.00242 .00023 .00474 |
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Ca1 0 .59791 .25 .01225 .01049 .01400 .01221 0 .00018 0 |
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Ca2 .164189 .33537 .12171 .01213 .01232 .01235 .01180 .00026 .00120 .00159 |
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P .178044 .66662 .15062 .01057 .01002 .01247 .00924 -.00065 .00058 .00006 |
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C 0 .2818 .25 .0136 .0134 .0137 .0138 0 .0031 0 |
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O1p .21612 .76680 .3030 .0160 .0148 .0212 .0118 -.0046 -.0005 -.0024 |
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O2p .22778 .55013 .0690 .0154 .0125 .0145 .0195 .0006 .0028 -.0010 |
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O3p .12142 .58406 .2629 .0148 .0111 .0188 .0146 -.0018 .0020 .0023 |
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O4p .14517 .74825 -.0352 .0150 .0175 .0159 .0115 -.0002 -.0019 .0018 |
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O1c 0 .14635 .25 .0238 .0209 .0124 .0390 0 .0109 0 |
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O2c .02937 .35493 .1068 .0157 .0161 .0184 .0128 -.0023 .0025 .0017 |
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Oh .13476 .07351 .1247 .0131 .0122 .0152 .0119 .0013 .0011 -.0016 |
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Ow1 .000 .850 .201 .25 .033 .063 .008 .028 .005 -.011 -.008 |
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Ow2 .0110 .848 .216 .25 .030 .046 .027 .016 .001 .009 .001 |
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Hh .0928 .082 .134 .002 |
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Hw1 0 .924 .25 .018 |
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Hw2 .002 .851 .066 .5 .018 |
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Pattersonite |
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Kolitsch U, Bernhardt H-J, Krause W, Blass G |
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European Journal of Mineralogy 20 (2008) 281-288 |
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Pattersonite, PbFe3(PO4)2(OH)4[(H2O)0.5(OH)0.5]2, a new supergene phosphate |
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mineral: description and crystal structure |
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Locality: Grube Vereinigung, near Eisenbach, Taunus, Hesse, Germany |
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_database_code_amcsd 0007260 |
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5.309 7.211 7.349 87.74 86.38 71.40 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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Pb .5 .5 .5 .01253 .0125 .0115 .0117 -.00119 -.00072 -.00024 |
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Fe1 0 0 0 .0170 .0109 .0309 .0126 -.0108 .0040 -.0129 |
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Fe2 0 0 .5 .0230 .0364 .0382 .0087 -.0329 .0072 -.0057 |
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Fe3 .5 .5 0 .0148 .0085 .0288 .0096 -.0091 .0011 -.0064 |
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P .0503 .3543 .2244 .0218 .0145 .0432 .0155 -.0201 .0082 -.0159 |
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O1 .1548 .1912 .0863 .0212 |
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O2 -.2259 .4935 .1806 .0271 |
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O3 .2545 .4655 .2197 .0202 |
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O4 .0199 .2705 .4171 .0270 |
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OH5 .1134 .0530 .7402 .0195 |
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OH6 .3606 .7889 .0331 .0196 |
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Wat7 -.388 .1309 .5814 .5 .041 |
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OH7 -.388 .1309 .5814 .5 .041 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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