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Dickinsonite-(KMnNa) |
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Moore P B, Araki T, Merlino S, Mellini M, Zanazzi P F |
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American Mineralogist 66 (1981) 1034-1049 |
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The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: |
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crystal structure and crystal chemistry |
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sample BR |
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Locality: Branchville, Connecticut, USA |
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_database_code_amcsd 0000848 |
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24.940 10.131 16.722 90 105.60 90 A2/a |
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atom x y z occ |
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Al 0 .5 0 |
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Fe1 .47856 .88682 .22519 |
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Fe2 .26879 .00654 .21154 |
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Fe3 .13944 .01293 .10620 |
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Fe4 .40442 .24825 .02195 |
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Fe5 .40102 .74524 .03375 |
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Fe6 .35182 .69839 .20674 |
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Fe7 .34356 .29531 .22190 |
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Ca .48542 .22242 .23362 .5 |
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Na1 .12070 .51223 .12679 |
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Na2 0 0 0 .5 |
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Na3 .25 .1600 0 .5 |
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Na4 .45639 .93751 .21059 .5 |
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K .25 .4960 0 |
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P1 .3693 .0090 .1168 .5 |
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P2 .3388 .9987 .0847 .5 |
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P3 .42283 .46775 .12855 |
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P4 .03808 .24996 .12487 |
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P5 .04757 .76632 .10221 |
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P6 .21185 .72319 .12967 |
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P7 .20441 .29526 .14445 |
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O1 .3680 .0624 .0281 |
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O2 .3643 -.1369 .1139 |
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O3 .3235 .0762 .1455 .5 |
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O4 .4246 .0410 .1799 .5 |
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O5 .2713 .9691 .0277 .5 |
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O6 .3473 .0797 .1542 .5 |
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O7 .4438 .4455 .0496 |
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O8 .3907 .5974 .1190 |
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O9 .3854 .3460 .1281 |
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O10 .4702 .4652 .2086 |
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O11 .0733 .1649 .0818 |
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O12 .0370 .3924 .0944 |
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O13 -.0208 .1911 .1070 |
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O14 .0622 .2476 .2206 |
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O15 .0485 .6431 .0467 |
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O16 .0789 .8710 .0646 |
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O17 -.0114 .8122 .0976 |
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O18 .0773 .7359 .1929 |
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O19 .1713 .6816 .0473 |
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O20 .2705 .6807 .1302 |
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O21 .2091 .8742 .1403 |
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O22 .1936 .6563 .2018 |
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O23 .1665 .3376 .0602 |
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O24 .2629 .3503 .1545 |
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O25 .2058 .1438 .1494 |
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O26 .1813 .3499 .2155 |
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F .1354 .0009 .2309 |
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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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Dickinsonite-(KMnNa) |
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Camara F, Oberti R, Chopin C, Medenbach O |
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American Mineralogist 91 (2006) 1249-1259 |
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The arrojadite enigma: I. A new formula and |
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a new model for the arrojadite structure |
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Sample: Branchville, Connecticut, USA |
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_database_code_amcsd 0004192 |
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16.6900 10.1013 24.8752 90 105.616 90 Cc |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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KA1 .0042 .5102 -.2399 .25 5.1 .0030 .0102 .0042 .0014 .0031 .0014 |
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NaA1 .0042 .5102 -.2399 .25 5.1 .0030 .0102 .0042 .0014 .0031 .0014 |
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KA1x -.0556 .4931 -.3034 .25 3.6 .0036 .0096 .0010 -.0016 -.0004 -.0004 |
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NaA1x -.0556 .4931 -.3034 .25 3.6 .0036 .0096 .0010 -.0016 -.0004 -.0004 |
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Na2 .1333 .5114 .1206 5.0 .0086 .0041 .0009 .0010 -.0017 -.0003 |
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Na1 -.0030 .0014 .0018 2.38 .0027 .0036 .0009 .0006 -.0005 .0001 |
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Ca -.2337 .2176 .0193 .51 1.12 .0010 .0029 .0006 -.0006 .0004 -.0004 |
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Na -.2337 .2176 .0193 .42 1.12 .0010 .0029 .0006 -.0006 .0004 -.0004 |
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Sr -.2337 .2176 .0193 .05 1.12 .0010 .0029 .0006 -.0006 .0004 -.0004 |
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Pb -.2337 .2176 .0193 .01 1.12 .0010 .0029 .0006 -.0006 .0004 -.0004 |
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Ba -.2337 .2176 .0193 .01 1.12 .0010 .0029 .0006 -.0006 .0004 -.0004 |
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NaB2 -.1254 .4886 -.1195 .2 1.96 .0029 .0033 .0005 .0007 -.0002 .0000 |
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MnB1 -.2932 .5581 -.0420 .6 3.18 .0018 .0100 .0015 .0016 .0003 .0020 |
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FeB1 -.2932 .5581 -.0420 .2 3.18 .0018 .0100 .0015 .0016 .0003 .0020 |
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NaB1 -.2932 .5581 -.0420 .2 3.18 .0018 .0100 .0015 .0016 .0003 .0020 |
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NaA2 -.0213 .1802 .2319 .5 3.0 |
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NaA2x' -.005 .130 .260 .5 4.0 |
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Na3 -.5170 .6799 -.2640 .30 2.0 |
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Na3x -.483 .652 -.226 .30 6.0 |
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MnM1 -.2291 .8826 .0218 .7 .73 .0004 .0021 .0004 .0001 .0002 .0001 |
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LiM1 -.2291 .8826 .0218 .3 .73 .0004 .0021 .0004 .0001 .0002 .0001 |
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MnM2a -.2960 .4921 -.2274 .7 1.28 .0017 .0021 .0004 .0001 -.0001 -.0001 |
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FeM2a -.2960 .4921 -.2274 .3 1.28 .0017 .0021 .0004 .0001 -.0001 -.0001 |
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MnM2b .2839 .5029 .2338 .7 1.10 .0010 .0028 .0004 .0001 .0000 -.0001 |
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FeM2b .2839 .5029 .2338 .3 1.10 .0010 .0028 .0004 .0001 .0000 -.0001 |
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MnM3a -.1110 -.0130 -.1381 .7 .75 .0007 .0019 .0003 .0000 .0001 -.0001 |
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FeM3a -.1110 -.0130 -.1381 .3 .75 .0007 .0019 .0003 .0000 .0001 -.0001 |
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MnM3b .1024 1.0105 .1409 .7 .83 .0007 .0021 .0004 .0000 .0000 .0000 |
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FeM3b .1024 1.0105 .1409 .3 .83 .0007 .0021 .0004 .0000 .0000 .0000 |
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MnM4a -.0224 .2503 .0984 .7 .87 .0006 .0022 .0004 .0002 .0001 .0001 |
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FeM4a -.0224 .2503 .0984 .3 .87 .0006 .0022 .0004 .0002 .0001 .0001 |
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MnM4b .0207 .7529 -.0941 .7 .97 .0008 .0026 .0005 .0002 .0002 .0001 |
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FeM4b .0207 .7529 -.0941 .3 .97 .0008 .0026 .0005 .0002 .0002 .0001 |
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MnM5a .0297 .2514 -.0969 .7 .73 .0005 .0023 .0003 .0000 .0000 .0000 |
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FeM5a .0297 .2514 -.0969 .3 .73 .0005 .0023 .0003 .0000 .0000 .0000 |
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MnM5b -.0371 .7395 .1006 .7 1.04 .0007 .0034 .0004 .0000 .0001 .0001 |
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FeM5b -.0371 .7395 .1006 .3 1.04 .0007 .0034 .0004 .0000 .0001 .0001 |
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MnM6a -.2096 .6948 .1498 .7 .91 .0008 .0029 .0003 .0000 .0001 .0000 |
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FeM6a -.2096 .6948 .1498 .3 .91 .0008 .0029 .0003 .0000 .0001 .0000 |
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MnM6b -.2964 .8012 -.1463 .7 1.19 .0012 .0035 .0004 .0002 .0001 -.0001 |
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FeM6b -.2964 .8012 -.1463 .3 1.19 .0012 .0035 .0004 .0002 .0001 -.0001 |
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MnM7a -.2832 .2108 -.1525 .7 .90 .0007 .0027 .0004 -.0002 .0001 .0001 |
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FeM7a -.2832 .2108 -.1525 .3 .90 .0007 .0027 .0004 -.0002 .0001 .0001 |
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MnM7b -.2260 .7013 -.3403 .7 1.18 .0010 .0040 .0003 .0006 .0001 -.0001 |
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FeM7b -.2260 .7013 -.3403 .3 1.18 .0010 .0040 .0003 .0006 .0001 -.0001 |
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Al -.0043 .4983 .0017 .54 .0004 .0017 .0002 .0000 .0001 .0000 |
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P1 -.1196 1.0072 .1330 .64 .0005 .0020 .0003 -.0002 .0001 -.0001 |
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P1x -.4175 .5017 -.1591 1.27 .0014 .0028 .0007 -.0005 .0006 -.0002 |
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P2a -.1337 .4621 .0772 .77 .0006 .0021 .0004 -.0001 .0002 .0000 |
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P2b .1245 .5298 -.0753 .66 .0004 .0021 .0003 .0001 .0001 .0000 |
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P3a -.1278 .7478 -.0363 .64 .0005 .0020 .0003 .0000 .0001 .0000 |
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P3b -.3796 .7472 .0395 .72 .0005 .0020 .0003 .0000 .0001 .0001 |
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P4a -.1072 .2348 -.0449 .67 .0005 .0018 .0003 -.0001 .0000 .0000 |
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P4b .0998 .7654 .0486 .73 .0006 .0020 .0003 .0000 .0001 -.0001 |
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P5a .1281 .7207 .2140 .82 .0007 .0023 .0003 .0000 .0000 .0001 |
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P5b -.1321 .2795 -.2091 .73 .0007 .0017 .0003 .0001 .0000 .0000 |
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P6a .1432 .2942 .2073 .89 .0008 .0022 .0003 .0002 -.0001 -.0001 |
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P6b -.1475 .7043 -.2018 .89 .0010 .0018 .0003 .0002 -.0001 -.0001 |
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O1a -.4781 .4384 -.1297 1.41 .0008 .0028 .0011 .0000 .0006 .0003 |
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O1b -.0326 .0608 .1336 1.19 .0009 .0030 .0006 -.0001 .0002 .0002 |
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O2a -.3905 .6375 -.1322 1.08 .0010 .0027 .0005 -.0002 .0004 -.0004 |
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O2b -.1136 .8558 .1413 1.29 .0015 .0020 .0007 -.0005 .0004 .0001 |
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O3 .3529 .5749 .1802 1.45 .0015 .0042 .0006 -.0007 .0005 -.0007 |
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O4 -.1832 1.0377 .0775 1.27 .0009 .0031 .0006 .0000 -.0001 .0000 |
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O3x -.4601 .5135 -.2214 5.3 .0070 .0174 .0005 -.0068 .0006 -.0009 |
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O4x -.3402 .4199 -.1549 4.4 .0034 .0033 .0045 .0010 .0033 .0002 |
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O5a -.0537 .4435 .0578 .86 .0007 .0022 .0005 -.0002 .0003 -.0001 |
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O5b .0465 .5523 -.0538 .98 .0008 .0031 .0004 .0002 .0003 .0000 |
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O6a -.1262 .5938 .1078 1.15 .0009 .0025 .0008 -.0002 .0007 -.0001 |
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O6b .1159 .3990 -.1066 1.07 .0010 .0019 .0007 -.0001 .0003 -.0003 |
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O7a -.1309 .3414 .1162 1.18 .0009 .0031 .0006 .0004 .0003 .0004 |
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O7b -.3769 .1494 -.1137 1.03 .0008 .0026 .0006 .0002 .0004 .0004 |
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O8a -.2128 .4503 .0298 1.59 .0005 .0070 .0005 .0000 -.0001 .0002 |
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O8b -.2955 1.0319 -.0278 1.30 .0008 .0042 .0005 -.0001 .0000 .0000 |
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O9a -.0829 .8341 -.0694 1.08 .0007 .0032 .0006 .0003 .0002 .0001 |
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O9b -.4190 .6636 .0771 1.08 .0011 .0030 .0005 .0001 .0003 .0005 |
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O10a -.0984 .6045 -.0352 1.06 .0008 .0028 .0005 .0001 .0001 .0000 |
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O10b .0896 .3905 .0374 .98 .0008 .0020 .0005 .0003 .0001 .0001 |
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O11a -.1102 .8063 .0232 1.27 .0011 .0037 .0005 .0007 .0003 .0000 |
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O11b -.3987 .6854 -.0179 1.14 .0012 .0037 .0002 .0005 .0000 -.0002 |
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O12a -.2228 .7542 -.0600 1.21 .0007 .0035 .0006 -.0002 .0000 .0000 |
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O12b -.2841 .7514 .0645 1.09 .0003 .0036 .0006 .0003 .0001 .0005 |
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O13a -.0528 .3576 -.0465 .81 .0007 .0021 .0004 -.0005 .0001 .0001 |
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O13b .0440 .6416 .0491 .86 .0008 .0018 .0005 -.0001 .0002 -.0001 |
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O14a -.0707 .1316 -.0771 1.08 .0009 .0026 .0005 .0001 .0002 -.0004 |
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O14b .0615 .8697 .0794 1.01 .0009 .0022 .0005 -.0001 .0002 -.0002 |
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O15a -.0970 .1878 .0149 1.15 .0014 .0028 .0004 -.0004 .0003 .0001 |
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O15b .0988 .8119 -.0097 1.34 .0017 .0038 .0003 -.0011 .0002 .0000 |
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O16a -.1988 .2629 -.0709 1.29 .0006 .0045 .0005 .0001 -.0001 -.0003 |
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O16b .1895 .7324 .0808 1.43 .0006 .0038 .0008 .0003 -.0002 -.0002 |
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O17a .0444 .6825 .1745 1.36 .0010 .0043 .0004 -.0001 -.0001 .0001 |
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O17b -.0504 .3223 -.1678 1.33 .0007 .0046 .0005 -.0002 -.0001 .0001 |
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O18a .1286 .3177 -.2271 1.49 .0016 .0043 .0006 .0002 .0005 -.0001 |
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O18b -.1330 .3264 -.2675 1.16 .0011 .0040 .0002 -.0004 -.0001 .0001 |
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O19a .1427 .8705 .2097 1.79 .0024 .0028 .0006 -.0002 -.0002 .0002 |
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O19b -.1390 .1271 -.2081 1.35 .0016 .0020 .0005 -.0002 -.0001 .0000 |
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O20a .1984 .6513 .1960 1.29 .0008 .0041 .0006 .0005 .0003 .0000 |
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O20b -.2049 .3417 -.1901 1.15 .0009 .0033 .0005 -.0001 .0003 .0000 |
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O21a .0584 .3362 .1706 1.81 .0012 .0050 .0007 .0011 -.0004 -.0004 |
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O21b -.0637 .6622 -.1628 1.28 .0010 .0035 .0005 .0004 -.0001 -.0002 |
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O22a .1579 .6486 -.2346 2.5 .0031 .0073 .0003 -.0027 -.0004 .0007 |
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O22b -.1528 .6528 -.2599 2.6 .0039 .0054 .0004 .0029 -.0003 -.0007 |
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O23a .1476 .1416 .2088 1.23 .0013 .0023 .0005 .0000 .0000 -.0001 |
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O23b -.1538 .8562 -.2035 1.19 .0014 .0020 .0005 .0001 .0000 .0001 |
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O24a .2129 .3461 .1820 1.59 .0016 .0032 .0008 -.0005 .0002 .0001 |
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O24b -.2192 .6485 -.1798 1.62 .0009 .0030 .0011 -.0005 .0001 .0003 |
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OW1 -.2356 1.0006 -.1337 .97 1.21 .0011 .0034 .0005 .0000 .0003 .0001 |
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FW1 -.2356 1.0006 -.1337 .03 1.21 .0011 .0034 .0005 .0000 .0003 .0001 |
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OW2 -.2721 .5008 .1358 .95 .0006 .0030 .0004 .0001 .0001 .0000 |
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HW1 -.228 .986 -.100 .97 1.20 |
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HW2 -.273 .479 .094 1.20 |
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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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