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Barrerite |
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Meneghinello E, Alberti A, Cruciani G, Sacerdoti M, McIntyre G, |
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Ciambelli P, Rapascciuolo M T |
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European Journal of Mineralogy 12 (2000) 1123-1129 |
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Single crystal neutron diffraction study of the natural zeolite barrerite |
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in its ND4-exchanged form |
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_database_code_amcsd 0006847 |
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13.601 18.232 17.810 90 90 90 Fmmm |
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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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SiT1 .3856 .3077 .3761 .7915 .027 .036 .040 0 -.002 -.002 |
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AlT1 .3856 .3077 .3761 .2085 .027 .036 .040 0 -.002 -.002 |
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SiT3 .3010 .4107 .5 .7915 .028 .035 .040 -.003 0 0 |
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AlT3 .3010 .4107 .5 .2085 .028 .035 .040 -.003 0 0 |
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SiT4 .3882 .1840 .5 .7915 .024 .037 .036 .006 0 0 |
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AlT4 .3882 .1840 .5 .2085 .024 .037 .036 .006 0 0 |
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SiT5 .25 .25 .25 .7915 .020 .057 .029 0 0 0 |
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AlT5 .25 .25 .25 .2085 .020 .057 .029 0 0 0 |
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O1 .3176 .3042 .3013 .046 .063 .055 -.011 -.015 .017 |
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O3 .3720 .2318 .4256 .041 .063 .058 -.009 -.008 .021 |
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O4 .3563 .3799 .4247 .064 .059 .070 -.009 .024 -.020 |
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O7 .5 .3162 .3489 .032 .058 .061 0 0 -.003 |
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O8 .3153 .1138 .5 .033 .043 .075 -.005 0 0 |
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O9 .3093 .5 .5 .047 .037 .075 0 0 0 |
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O10 .5 .1506 .5 .023 .056 .054 0 0 0 |
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Wat1 .461 .122 .306 .21 .062 |
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Wat2 .5 .130 .307 .25 .036 |
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Wat3 .474 0 .431 .34 .14 |
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Wat4 .405 0 .386 .26 .11 |
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Wat6 .389 0 .319 .19 .07 |
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Wat8 .5 .5 .372 .058 .049 .13 0 0 0 |
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Wat11 .398 .094 .316 .15 .08 |
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NaC1 .5 0 .291 .10625 .03 |
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KC1 .5 0 .291 .03 .03 |
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MgC1 .5 0 .291 .0475 .03 |
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CaC1 .5 0 .291 .1625 .03 |
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BaC1 .5 0 .291 .0025 .03 |
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NH4C2 .291 .058 .292 .00875 .13 |
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ND42 .5 .090 .273 .12 .19 |
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ND43 .337 .028 .234 .11 .12 |
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ND44 .338 .068 .331 .15 .09 |
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