Phillipsite
Gatta G D, Cappelletti P, Rotiroti N, Slebodnick C, Rinaldi R
American Mineralogist 94 (2009) 190-199
New insights into the crystal structure and crystal chemistry of the zeolite
phillipsite
Locality: "Newer Volcanic Suite," Richmond, Melbourne, Victoria, Australia
Note: T = 100 K
Note: Chemistry and structural occupancy are not consistent
_database_code_amcsd 0004835
9.8511 14.2476 8.6422 90 124.319 90 P2_1/m
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1 .85967 .25 .2279 .796 .0299 .0300 .0147 .0432 0 .0196 0
K2 .822 .25 .138 .075 .028 .023 .026 .047 0 .027 0
Na1 .39299 .37620 .5585 .35 .0235 .0152 .0318 .0192 .0023 .0071 -.0068
Ca1 .39299 .37620 .5585 .15 .0235 .0152 .0318 .0192 .0023 .0071 -.0068
Na2 .4560 .3150 .656 .045 .058
Ca2 .4560 .3150 .656 .025 .058
Al1 .73740 .02709 .28032 .375 .00971 .00852 .00999 .00851 .00073 .00352 -.00092
Al2 .42066 .14079 -.00085 .375 .01058 .01106 .01159 .00986 -.00117 .00619 -.00032
Al3 .06192 .00519 .28590 .375 .01068 .01106 .01159 .00986 -.00117 .00619 -.00032
Al4 .12529 .13921 .04726 .375 .01030 .01173 .00958 .01115 -.00097 .00739 .00008
Si1 .73740 .02709 .28032 .625 .00971 .00852 .00999 .00851 .00073 .00352 -.00092
Si2 .42066 .14079 -.00085 .625 .01058 .01106 .01159 .00986 -.00117 .00619 -.00032
Si3 .06192 .00519 .28590 .625 .01068 .01106 .01159 .00986 -.00117 .00619 -.00032
Si4 .12529 .13921 .04726 .625 .01030 .01173 .00958 .01115 -.00097 .00739 .00008
O1 .13911 .09415 .23177 .02237 .0293 .0225 .0188 -.0077 .0157 -.0012
O2 .64477 .57363 .18824 .02025 .0232 .0147 .0203 .0033 .0108 .0037
O3 .61319 .11578 .16950 .01856 .0138 .0167 .0179 .0026 .0045 .0020
O4 .02204 .91187 .14892 .02034 .0198 .0193 .0166 -.0004 .0070 -.0028
O5 .89803 .04451 .27452 .01971 .0160 .0207 .0232 .0011 .0115 -.0010
O6 .30724 .37356 .08322 .0239 .0196 .0280 .0293 .0001 .0169 -.0007
O7 .78704 .47439 .49591 .01927 .0189 .0253 .0121 -.0031 .0079 -.0016
O8 .58790 .75 .0709 .0219 .0282 .0152 .0186 0 .0110 0
O9 .07278 .25 .0317 .0212 .0222 .0127 .0251 0 .0110 0
Wat1 1.2322 .25 .5194 .895 .0537 .0521 .089 .0222 0 .0222 0
Wat2 .1594 .75 .4340 .873 .0347 .0419 .0204 .0276 0 .0110 0
Wat3 .3190 .8485 .1715 .748 .0717 .0485 .101 .083 .0033 .0476 .0116
Wat4 .4937 .7787 .5669 .393 .0499 .0303 .088 .0295 -.0094 .0154 .0040
Wat5 .5196 .9840 .5356 .441 .074 .031 .092 .100 .0298 .037 .035
Wat6 .4852 .8954 .5800 .277 .073 .084 .111 .029 .076 .035 .031
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