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 = 298 K
Note: Chemistry and structural occupancy are not consistent
_database_code_amcsd 0004834
9.9238 14.3145 8.7416 90 124.920 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    .8674    .25   .226  .58  .0543   .078   .023   .065      0   .042      0
K2    .8451    .25   .187  .30   .059   .057   .035   .112      0   .064      0
Na    .6682 .37452  .5593  .36  .0324  .0334  .0416  .0267 -.0131  .0199 -.0075
Ca    .6682 .37452  .5593  .16  .0324  .0334  .0416  .0267 -.0131  .0199 -.0075
Al1  .72527 .00683 .28477 .375 .01380  .0123  .0156  .0122  .0007  .0063 -.0008
Al2  .42172 .13923 .04494 .375 .01350  .0122  .0122  .0145  .0010  .0067 -.0003
Al3  .04307 .02522 .28043 .375 .01287  .0142  .0139  .0112 -.0017  .0077 -.0009
Al4  .08288 .14052 .00296 .375 .01359  .0166  .0112  .0156 -.0009  .0108 -.0005
Si1  .72527 .00683 .28477 .625 .01380  .0123  .0156  .0122  .0007  .0063 -.0008
Si2  .42172 .13923 .04494 .625 .01350  .0122  .0122  .0145  .0010  .0067 -.0003
Si3  .04307 .02522 .28043 .625 .01287  .0142  .0139  .0112 -.0017  .0077 -.0009
Si4  .08288 .14052 .00296 .625 .01359  .0166  .0112  .0156 -.0009  .0108 -.0005
O1    .0615 .11290  .1724       .0250  .0347  .0237  .0235 -.0004  .0207  .0036
O2    .6291 .58688  .1499       .0261  .0326  .0239  .0221  .0050  .0158  .0056
O3    .5947 .09597  .2286       .0276  .0204  .0280  .0241  .0072  .0067 -.0010
O4    .0399 .92452  .1868       .0267  .0306  .0196  .0251 -.0006  .0130 -.0060
O5    .8771 .04490  .2722       .0262  .0247  .0282  .0331 -.0015  .0207 -.0008
O6    .2793 .37402  .0853       .0299  .0237  .0350  .0358 -.0020  .0197 -.0015
O7    .7927 .52202  .5036       .0249  .0211  .0333  .0152  .0012  .0074 -.0020
O8    .5455    .75 -.0257       .0275  .0360  .0148  .0336      0  .0211      0
O9    .0224    .25 -.0610       .0276  .0343  .0160  .0269      0  .0143      0
Wat1 1.2177    .25  .5627  .91   .081   .130   .042   .047      0   .036      0
Wat2  .2129    .75  .4774  .95   .088   .060   .127   .039      0   .007      0
Wat3  .3513  .6450  .1717  .87   .110   .070   .180   .095   .005   .055  -.006
Wat4   .582   .786   .568  .29   .066   .032   .093   .047   .003   .008  -.008
Wat4   .545   .735   .551  .14   .051
Wat5  .5209  .9854  .5421 .432   .084   .076   .116   .096   .009   .071   .042
Wat6  .5984  .8864  .5662  .30   .133   .075   .189   .058  -.070  -.008   .064