Barrerite Meneghinello E, Alberti A, Cruciani G, Sacerdoti M, McIntyre G, Ciambelli P, Rapascciuolo M T European Journal of Mineralogy 12 (2000) 1123-1129 Single crystal neutron diffraction study of the natural zeolite barrerite in its ND4-exchanged form _database_code_amcsd 0006847 13.601 18.232 17.810 90 90 90 Fmmm atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) SiT1 .3856 .3077 .3761 .7915 .027 .036 .040 0 -.002 -.002 AlT1 .3856 .3077 .3761 .2085 .027 .036 .040 0 -.002 -.002 SiT3 .3010 .4107 .5 .7915 .028 .035 .040 -.003 0 0 AlT3 .3010 .4107 .5 .2085 .028 .035 .040 -.003 0 0 SiT4 .3882 .1840 .5 .7915 .024 .037 .036 .006 0 0 AlT4 .3882 .1840 .5 .2085 .024 .037 .036 .006 0 0 SiT5 .25 .25 .25 .7915 .020 .057 .029 0 0 0 AlT5 .25 .25 .25 .2085 .020 .057 .029 0 0 0 O1 .3176 .3042 .3013 .046 .063 .055 -.011 -.015 .017 O3 .3720 .2318 .4256 .041 .063 .058 -.009 -.008 .021 O4 .3563 .3799 .4247 .064 .059 .070 -.009 .024 -.020 O7 .5 .3162 .3489 .032 .058 .061 0 0 -.003 O8 .3153 .1138 .5 .033 .043 .075 -.005 0 0 O9 .3093 .5 .5 .047 .037 .075 0 0 0 O10 .5 .1506 .5 .023 .056 .054 0 0 0 Wat1 .461 .122 .306 .21 .062 Wat2 .5 .130 .307 .25 .036 Wat3 .474 0 .431 .34 .14 Wat4 .405 0 .386 .26 .11 Wat6 .389 0 .319 .19 .07 Wat8 .5 .5 .372 .058 .049 .13 0 0 0 Wat11 .398 .094 .316 .15 .08 NaC1 .5 0 .291 .10625 .03 KC1 .5 0 .291 .03 .03 MgC1 .5 0 .291 .0475 .03 CaC1 .5 0 .291 .1625 .03 BaC1 .5 0 .291 .0025 .03 NH4C2 .291 .058 .292 .00875 .13 ND42 .5 .090 .273 .12 .19 ND43 .337 .028 .234 .11 .12 ND44 .338 .068 .331 .15 .09