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Semenovite-(Ce) |
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Mazzi F, Ungaretti L, Dal Negro A, Petersen O V, Ronsbo J G |
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American Mineralogist 64 (1979) 202-210 |
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The crystal structure of semenovite |
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_database_code_amcsd 0000705 |
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13.879 13.835 9.942 90 90 90 Pmnn |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ce1 .1390 0 0 .80 .0012 .0015 .0028 0 0 -.0003 |
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Na1 .1390 0 0 .14 .0012 .0015 .0028 0 0 -.0003 |
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Na2 .1349 0 .5 .56 .0053 .0067 .0087 0 0 .0013 |
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Ce2 .1349 0 .5 .20 .0053 .0067 .0087 0 0 .0013 |
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Fe3 .5 0 .5 .40 .0024 .0018 .0038 0 0 .0001 |
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Mn3 .5 0 .5 .40 .0024 .0018 .0038 0 0 .0001 |
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Fe4 .5 0 0 .10 .0039 .0013 .0026 0 0 .0012 |
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Mn4 .5 0 0 .10 .0039 .0013 .0026 0 0 .0012 |
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Ca5 .1385 .2097 .0128 .52 .0015 .0022 .0023 .0008 .0002 .0001 |
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Na5 .1385 .2097 .0128 .48 .0015 .0022 .0023 .0008 .0002 .0001 |
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Na6 .1431 .3060 .5053 .87 .0017 .0038 .0040 .0010 .0004 -.0013 |
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Ca6 .1431 .3060 .5053 .13 .0017 .0038 .0040 .0010 .0004 -.0013 |
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Si1 .3373 -.0044 .2532 .0013 .0018 .0040 .0004 -.0003 .0000 |
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Si2 .2045 .1509 .2789 .80 .0007 .0011 .0021 .0000 -.0002 -.0001 |
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Be2 .2045 .1509 .2789 .20 .0007 .0011 .0021 .0000 -.0002 -.0001 |
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Be3 .2043 .1547 .7769 .80 .0015 .0033 .0044 .0001 .0006 .0006 |
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Si3 .2043 .1547 .7769 .20 .0015 .0033 .0044 .0001 .0006 .0006 |
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Si4 .5 .1297 .2364 .80 .0014 .0010 .0020 0 0 -.0009 |
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Be4 .5 .1297 .2364 .20 .0014 .0010 .0020 0 0 -.0009 |
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Be5 .5 .1388 .7289 .80 .0015 .0030 .0064 0 0 .0041 |
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Si5 .5 .1388 .7289 .20 .0015 .0030 .0064 0 0 .0041 |
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Si6 0 .1493 .2350 .0010 .0020 .0042 0 0 .0004 |
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Si7 0 .1513 .7466 .0020 .0024 .0048 0 0 .0004 |
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O1 .2490 .2473 .3393 .0027 .0016 .0030 -.0003 -.0009 -.0008 |
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O2 .2668 .0627 .3473 .0019 .0021 .0043 .0007 .0000 -.0002 |
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O3 .2703 .0649 .8477 .0017 .0012 .0046 .0006 .0003 .0001 |
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O4 .4061 .0737 .1713 .0014 .0023 .0040 -.0001 -.0005 .0003 |
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O5 .4065 .0742 .6567 .0014 .0016 .0051 -.0001 .0004 .0003 |
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O6 .0940 .1379 .3375 .0009 .0040 .0030 .0001 -.0005 .0001 |
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O7 .0963 .1395 .8393 .0009 .0038 .0048 .0003 -.0002 .0015 |
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O8 .2023 .1449 .1172 .0019 .0019 .0021 -.0001 .0002 .0002 |
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F9 .2066 .1547 .6208 .0020 .0021 .0028 -.0002 .0000 -.0001 |
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O10 .5 .2397 .1699 .0017 .0018 .0047 0 0 -.0011 |
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O11 .5 .2450 .6648 .0027 .0020 .0034 0 0 -.0001 |
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O12 .5 .1328 .3934 .0024 .0031 .0018 0 0 .0003 |
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OH13 .5 .1361 .8857 .0025 .0030 .0039 0 0 -.0003 |
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O14 0 .0619 .1234 .0014 .0024 .0044 0 0 -.0009 |
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OH15 0 .0756 .6209 .0026 .0021 .0085 0 0 -.0018 |
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View JMOL 3-D Structure (permalink) |
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