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Gismondine |
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Fischer K F |
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American Mineralogist 48 (1963) 664-672 |
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The crystal structure determination of the zeolite gismondite. CaAl2Si2O8.4H2O |
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10.02 10.62 9.84 90 92.42 90 P2_1/c |
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atom x y z occ |
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Si1 .415 .113 .182 |
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Si2 .908 .870 .160 |
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Al1 .097 .113 .170 |
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Al2 .590 .867 .149 |
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Ca .720 .077 .354 |
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O1 .078 .154 -.001 |
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O2 .262 .075 .212 |
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O3 .438 .145 .026 |
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O4 .246 .407 .303 |
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O5 0 -.017 .215 |
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O6 .044 .242 .261 |
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O7 .463 .224 .276 |
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O8 .511 -.005 .226 |
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Wat1 .257 .107 .505 |
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Wat2 .590 .127 .539 |
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Wat3 .911 .119 .501 |
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Wat4 .77 .21 .17 .5 |
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Wat5 .74 .18 .895 .5 |
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Gismondine |
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Ori S, Quartieri S, Vezzalini G, Dmitriev V |
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American Mineralogist 93 (2008) 1393-1403 |
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Pressure-induced over-hydration and water ordering in gismondine: |
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a synchrotron powder diffraction study |
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Locality: Ballyclare, Ireland |
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Note: ambient pressure |
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10.0155 10.6051 9.8277 90 92.409 90 P2_1/c |
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atom x y z occ Uiso |
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Ca .7159 .0772 .3564 .052 |
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All .0987 .1136 .1671 .015 |
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Al2 .5917 .8652 .1514 .015 |
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Sil .4110 .1088 .1791 .015 |
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Si2 .9101 .870 .1618 .015 |
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O1 .072 .159 .9981 .005 |
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O2 .2608 .067 .215 .005 |
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O3 .435 .151 .0237 .005 |
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O4 .2430 .401 .302 .005 |
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O5 .004 .986 .217 .005 |
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O6 .043 .2412 .261 .005 |
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O7 .461 .227 .273 .005 |
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O8 .504 .989 .222 .005 |
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Watl .254 .104 .503 .022 |
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Wat2 .591 .122 .536 .022 |
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Wat3 .911 .116 .495 .022 |
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Wat4 .777 .239 .240 .38 .022 |
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Wat5 .734 .307 .410 .62 .022 |
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Wat6 .777 .083 .040 .15 .022 |
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Wat7 .760 .198 .147 .62 .022 |
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Gismondine |
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Ori S, Quartieri S, Vezzalini G, Dmitriev V |
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American Mineralogist 93 (2008) 1393-1403 |
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Pressure-induced over-hydration and water ordering in gismondine: |
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a synchrotron powder diffraction study |
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Locality: Ballyclare, Ireland |
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Note: pressure = 1.6 GPa |
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9.8917 10.5948 9.7482 90 92.200 90 P2_1/c |
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atom x y z occ Uiso |
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Ca .7285 .0824 .3543 .070 |
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All .095 .113 .168 .026 |
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Al2 .591 .863 .151 .026 |
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Sil .412 .112 .183 .026 |
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Si2 .909 .866 .163 .026 |
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O1 .071 .160 .998 .016 |
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O2 .260 .072 .221 .016 |
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O3 .436 .151 .026 .016 |
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O4 .243 .404 .298 .016 |
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O5 .005 .980 .218 .016 |
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O6 .036 .236 .269 .016 |
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O7 .471 .226 .278 .016 |
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O8 .501 .988 .220 .016 |
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Watl .259 .102 .501 .033 |
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Wat2 .592 .125 .532 .033 |
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Wat3 .910 .122 .503 .033 |
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Wat4 .77 .274 .20 .23 .033 |
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Wat5 .745 .318 .360 .77 .033 |
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Wat6 .760 .152 .06 .50 .033 |
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Wat7 .767 .175 .14 .50 .033 |
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Gismondine |
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Ori S, Quartieri S, Vezzalini G, Dmitriev V |
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American Mineralogist 93 (2008) 1393-1403 |
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Pressure-induced over-hydration and water ordering in gismondine: |
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a synchrotron powder diffraction study |
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Locality: Ballyclare, Ireland |
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Note: pressure = 1.9 GPa |
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9.7975 10.626 9.6977 90 91.225 90 P2_1/c |
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atom x y z Uiso |
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Ca .744 .0777 .346 .091 |
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All .096 .114 .170 .032 |
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Al2 .583 .860 .158 .032 |
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Sil .417 .108 .184 .032 |
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Si2 .909 .862 .163 .032 |
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O1 .071 .164 .000 .026 |
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O2 .261 .071 .220 .026 |
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O3 .434 .139 .022 .026 |
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O4 .248 .397 .303 .026 |
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O5 .006 .978 .212 .026 |
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O6 .029 .233 .271 .026 |
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O7 .485 .225 .267 .026 |
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O8 .500 .985 .236 .026 |
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Watl .260 .111 .497 .038 |
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Wat2 .597 .128 .519 .038 |
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Wat3 .906 .119 .514 .038 |
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Wat5 .764 .303 .326 .038 |
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Wat7 .758 .149 .099 .038 |
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Gismondine |
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Ori S, Quartieri S, Vezzalini G, Dmitriev V |
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American Mineralogist 93 (2008) 1393-1403 |
|
Pressure-induced over-hydration and water ordering in gismondine: |
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a synchrotron powder diffraction study |
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Locality: Ballyclare, Ireland |
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Note: pressure = 0 after decompression |
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10.0264 10.6094 9.8377 90 92.369 90 P2_1/c |
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atom x y z occ Uiso |
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Ca .7164 .0793 .356 .071 |
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All .094 .112 .166 .025 |
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Al2 .593 .866 .148 .025 |
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Sil .412 .108 .181 .025 |
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Si2 .909 .869 .160 .025 |
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O1 .077 .168 .999 .013 |
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O2 .261 .062 .212 .013 |
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O3 .435 .157 .027 .013 |
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O4 .243 .406 .303 .013 |
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O5 .006 .982 .215 .013 |
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O6 .048 .244 .254 .013 |
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O7 .459 .231 .269 .013 |
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O8 .505 .988 .222 .013 |
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Watl .248 .110 .502 .035 |
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Wat2 .585 .117 .552 .035 |
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Wat3 .911 .120 .492 .035 |
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Wat4 .802 .268 .246 .44 .035 |
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Wat5 .749 .294 .392 .56 .035 |
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Wat6 .754 .11 .01 .16 .035 |
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Wat7 .750 .194 .168 .79 .035 |
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Gismondine |
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Artioli G, Rinaldi R, Kvick A, Smith J V |
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Zeolites 6 (1986) 361-366 |
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Neutron diffraction structure refinement of the zeolite gismondine at 15 K |
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Locality: synthetic |
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Sample: T = 15 K |
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10.011 10.614 9.853 90 93.11 90 P2_1/c |
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atom x y z occ Uiso |
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Ca .71243 .07174 .35977 .111 |
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Al1 .09783 .11445 .16605 .059 |
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Al2 .58866 .86492 .14799 .056 |
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Si1 .41701 .11342 .18365 .052 |
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Si2 .90696 .87029 .16244 .049 |
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O1 .08594 .16268 .99653 .080 |
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O2 .26410 .08016 .21490 .079 |
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O3 .43831 .14684 .02648 .070 |
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O4 .24580 .40345 .30058 .077 |
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O5 .99985 .98818 .20919 .086 |
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O6 .04313 .24651 .25317 .070 |
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O7 .47039 .22764 .28039 .075 |
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O8 .51143 .99265 .22922 .070 |
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Ow1 .25843 .10659 .49653 .100 |
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H11 .20848 .31767 .01194 .175 |
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H12 .26257 .09735 .39871 .157 |
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Ow2 .59508 .13096 .55060 .093 |
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H21 .53278 .29830 .03790 .157 |
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H22 .56213 .41867 .12553 .152 |
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Ow3 .90921 .11782 .49859 .105 |
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H13 .97987 .17930 .47756 .384 .153 |
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H23 .94105 .42852 .07771 .197 |
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H33 .96046 .30710 .00027 .616 .115 |
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Ow4 .77553 .23209 .23491 .697 .114 |
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H14 .72229 .28729 .17445 .613 .159 |
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H24 .86970 .25232 .22989 .697 .153 |
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H34 .65855 .27923 .19458 .084 .164 |
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Ow5 .73447 .32137 .41318 .303 .128 |
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H15 .76015 .15794 .00480 .303 .209 |
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H25 .74585 .39881 .35918 .303 .191 |
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Ow6 .77947 .19590 .16474 .303 .142 |
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H16 .73394 .26797 .14126 .303 .217 |
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H26 .87648 .22894 .19538 .303 .220 |
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Gismondine |
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Vezzalini G, Quartieri S, Alberti A |
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Zeolites 13 (1993) 34-42 |
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Structural modifications induced by dehydration in the zeolite gismondine |
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Locality: Montalto di Castro, Italy |
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Sample: dehydration t = 1 hr |
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9.989 10.616 9.820 90 92.57 90 *P2_1 |
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0 0 .25 |
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atom x y z Uiso |
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Ca .7155 .0689 .3579 .022 |
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CaP .2837 .9337 .6407 .022 |
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Al1 .0965 .1149 .1679 .0069 |
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Al1f .0965 .3851 .6679 .0069 |
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Al2 .5873 .8645 .1468 .0064 |
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Al2f .5873 .6355 .6468 .0064 |
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Si1 .4163 .1129 .1836 .0062 |
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Si1f .4163 .3871 .6836 .0062 |
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Si2 .9073 .8717 .1616 .0058 |
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Si2f .9073 .6283 .6616 .0058 |
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O1 .0810 .1576 .9972 .014 |
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O1f .0810 .3424 .4972 .014 |
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O2 .2619 .0807 .2146 .013 |
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O2f .2619 .4193 .7146 .013 |
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O3 .4400 .1478 .0253 .011 |
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O3f .4400 .3522 .5253 .011 |
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O4 .2487 .4021 .3037 .013 |
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O4f .2487 .0979 .8037 .013 |
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O5 .9969 .9883 .2135 .013 |
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O5f .9969 .5117 .7135 .013 |
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O6 .0435 .2486 .2560 .009 |
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O6f .0435 .2514 .7560 .009 |
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O7 .4704 .2258 .2788 .010 |
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O7f .4704 .2742 .7788 .010 |
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O8 .5088 .9912 .2283 .010 |
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O8f .5088 .5088 .7283 .010 |
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Wat1 .2556 .1184 .4997 .026 |
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Wat1P .7480 .8992 .5069 .021 |
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Wat2 .5931 .1196 .5541 .017 |
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Wat2P .4034 .8553 .4582 .012 |
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Wat3 .9011 .1370 .4995 .013 |
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Wat3P .0846 .8948 .4948 .018 |
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Wat4 .7743 .2537 .2557 .023 |
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Wat7P .2286 .7763 .7834 .028 |
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|
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|
| |
|
Gismondine |
|
Vezzalini G, Quartieri S, Alberti A |
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Zeolites 13 (1993) 34-42 |
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Structural modifications induced by dehydration in the zeolite gismondine |
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Locality: Montalto di Castro, Italy |
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Sample: dehydration t = 24 hr |
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13.902 8.892 13.952 90 90 90 *P2_12_12_1 |
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.25 .25 .25 |
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atom x y z Uiso |
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Ca1 .8233 .8366 .1344 .016 |
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Ca2 .6105 .0773 .5755 .028 |
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Al1 .7480 .7488 .9306 .014 |
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Al2 .2456 .7602 .1389 .014 |
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Al3 .4648 .1010 .1419 .011 |
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Al4 .9646 .1181 .6465 .014 |
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Si1 .8119 .9880 .4995 .010 |
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Si2 .3810 .5056 .5019 .012 |
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Si3 .9012 .1352 .2143 .011 |
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Si4 .3985 .1474 .7174 .012 |
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O1 .737 .081 .433 .021 |
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O2 .240 .090 .923 .010 |
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O3 .303 .637 .519 .006 |
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O4 .829 .656 .005 .013 |
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O5 .871 .860 .439 .009 |
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O6 .380 .893 .948 .017 |
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O7 .917 .966 .250 .008 |
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O8 .425 .977 .749 .021 |
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O9 .006 .714 .338 .008 |
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O10 .495 .701 .821 .010 |
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O11 .867 .742 .695 .012 |
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O12 .351 .765 .207 .013 |
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O13 .548 .984 .094 .008 |
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O14 .070 .028 .603 .012 |
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O15 .829 .116 .120 .015 |
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O16 .307 .129 .646 .016 |
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Wat1 .992 .611 .571 .029 |
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Wat2 .496 .640 .072 .047 |
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Wat3 .819 .604 .238 .030 |
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Wat4 .691 .881 .246 .039 |
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|
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|
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