|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Thomsonite-Ca |
| |
Gatta G D, Kahlenberg V, Kaindl R, Rotiroti N, Cappelletti P, de Gennaro M |
| |
American Mineralogist 95 (2010) 495-502 |
|
Crystal structure and low-temperature behavior of "disordered" thomsonite |
|
Locality: Terzigno, Somma-Vesuvius volcanic complex, Naples Province, Italy |
|
T = 295.5 K |
|
_database_code_amcsd 0005037 |
|
13.0809 13.0597 6.6051 90 90 90 Pbmn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .05755 0 .27736 .700 .0135 .0127 .0152 .0126 0 .0019 0 |
|
CaNa .05755 0 .27736 .300 .0135 .0127 .0152 .0126 0 .0019 0 |
|
Ca .5 .02423 0 .473 .0144 .0096 .0247 .0088 0 .0015 0 |
|
AlT1 .30886 .11926 .24134 .5 .0077 .0069 .0094 .0067 .00102 .00009 -.00018 |
|
SiT1 .30886 .11926 .24134 .5 .0077 .0069 .0094 .0067 .00102 .00009 -.00018 |
|
AlT2 .11609 .19516 .00259 .5 .0077 .0080 .0076 .0075 -.00156 .00091 -.00033 |
|
SiT2 .11609 .19516 .00259 .5 .0077 .0080 .0076 .0075 -.00156 .00091 -.00033 |
|
AlT3 .25 .25 .62085 .5 .0070 .0078 .0074 .0057 -.0009 0 0 |
|
SiT3 .25 .25 .62085 .5 .0070 .0078 .0074 .0057 -.0009 0 0 |
|
O1 .35599 0 .2320 .0116 .0103 .0099 .0146 0 .0009 0 |
|
O2 .18715 .12254 .15831 .0202 .0133 .0291 .0181 -.0030 .0000 -.0022 |
|
O3 0 .13831 0 .0128 .0102 .0124 .0158 0 -.0002 0 |
|
O4 .38882 .18394 .08666 .0203 .0266 .0148 .0194 .0027 -.0018 .0016 |
|
O5 .31168 .16259 .48011 .0181 .0182 .0225 .0136 .0048 .0006 .0017 |
|
O6 .16322 .19105 .76725 .0169 .0207 .0169 .0132 -.0061 .0012 -.0007 |
|
OW1 .12651 0 .6214 .952 .0301 .0343 .0111 .0449 0 -.0140 0 |
|
OW2 .39281 0 .7218 .966 .0282 .0355 .0276 .0216 0 -.0137 0 |
|
OW3 0 .15299 .5 .912 .0300 .0227 .0279 .0395 0 -.0162 0 |
|
HW1 .1557 .0552 .678 .952 .069 |
|
HW2 .3776 .0600 .652 .966 .067 |
|
HW3 .0426 .1975 .557 .912 .081 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Thomsonite-Ca |
| |
Gatta G D, Kahlenberg V, Kaindl R, Rotiroti N, Cappelletti P, de Gennaro M |
| |
American Mineralogist 95 (2010) 495-502 |
|
Crystal structure and low-temperature behavior of "disordered" thomsonite |
|
Locality: Terzigno, Somma-Vesuvius volcanic complex, Naples Province, Italy |
|
T = 98.0 K |
|
_database_code_amcsd 0005038 |
|
13.0603 13.0456 6.5981 90 90 90 Pbmn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .05752 0 .27934 .676 .0066 .0069 .0073 .0056 0 .0010 0 |
|
CaNa .05752 0 .27934 .324 .0066 .0069 .0073 .0056 0 .0010 0 |
|
Ca .5 .02656 0 .474 .0059 .0048 .0096 .0034 0 .0004 0 |
|
AlT1 .30955 .11932 .24222 .5 .0053 .0048 .0071 .0041 .00086 -.00012 -.00046 |
|
SiT1 .30955 .11932 .24222 .5 .0053 .0048 .0071 .0041 .00086 -.00012 -.00046 |
|
AlT2 .11617 .19432 .00348 .5 .0049 .0058 .0045 .0044 -.00081 .00119 -.00049 |
|
SiT2 .11617 .19432 .00348 .5 .0049 .0058 .0045 .0044 -.00081 .00119 -.00049 |
|
AlT3 .25 .25 .62166 .5 .0043 .0049 .0042 .0037 -.0006 0 0 |
|
SiT3 .25 .25 .62166 .5 .0043 .0049 .0042 .0037 -.0006 0 0 |
|
O1 .35713 0 .23256 .0076 .0064 .0080 .0085 0 .0006 0 |
|
O2 .18719 .12228 .16066 .0144 .0109 .0206 .0116 -.0034 .0021 -.0041 |
|
O3 0 .13719 0 .0096 .0077 .0101 .0110 0 -.0001 0 |
|
O4 .38882 .18421 .08607 .0147 .0211 .0106 .0126 .0030 -.0035 -.0011 |
|
O5 .31316 .16315 .48127 .0114 .0105 .0146 .0094 .0015 .0001 .0035 |
|
O6 .16354 .18953 .76774 .0109 .0145 .0100 .0083 -.0030 -.0005 -.0012 |
|
OW1 .12617 0 .6206 .947 .0161 .0183 .005 .0249 0 -.0079 0 |
|
OW2 .39103 0 .7239 .979 .0124 .0153 .0121 .0098 0 -.0050 0 |
|
OW3 0 .15273 .5 .923 .0170 .0135 .0118 .0257 0 -.0124 0 |
|
HW1 .1551 .0571 .677 .947 .047 |
|
HW2 .3736 .0561 .653 .979 .040 |
|
HW3 .0396 .1951 .561 .923 .042 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinoptilolite-Ca |
| |
Cappelletti P, Langella A, Cruciani G |
| |
European Journal of Mineralogy 11 (1999) 1051-1060 |
|
Crystal-chemistry and synchrotron Rietveld refinement |
|
of two different clinoptilolites from volcanoclastites |
|
of North-Western Sardinia |
|
Sample: LAC1 |
|
Locality: volcanoclastites of North-Western Sardinia |
|
_database_code_amcsd 0006812 |
|
17.6750 17.9572 7.4091 90 116.304 90 C2/m |
|
atom x y z occ Uiso |
|
Na1 .138 0 .692 .33 .05 |
|
Ca2 .047 .5 .196 .43 .07 |
|
K3 .242 .5 .041 .32 .03 |
|
Mg4 0 0 .5 .26 .06 |
|
Si1 .1783 .1704 .0982 .01 |
|
Si2 .2119 .4118 .5060 .02 |
|
Si3 .2098 .1914 .7103 .02 |
|
Si4 .0686 .2998 .4192 .01 |
|
Si5 0 .2185 0 .01 |
|
O1 .1941 .5 .4597 .02 |
|
O2 .2316 .1242 .6019 .02 |
|
O3 .1842 .1575 .8819 .03 |
|
O4 .2323 .1046 .2493 .03 |
|
O5 0 .3275 .5 .03 |
|
O6 .0785 .1599 .0599 .01 |
|
O7 .1265 .2342 .5573 .03 |
|
O8 .0114 .2769 .1830 .01 |
|
O9 .2113 .2526 .1843 .02 |
|
O10 .1169 .3764 .4214 .02 |
|
Wat1 .321 0 .073 .68 .12 |
|
Wat2 .131 0 .926 .30 .07 |
|
Wat3 .081 .414 .961 .11 |
|
Wat4 .5 0 .5 .03 |
|
Wat5 .016 .096 .414 .5 .07 |
|
Wat6 .091 0 .316 .5 .20 |
|
Wat7 .085 0 .704 .5 .12 |
|
Wat8 .051 0 .099 .49 .15 |
|
Wat9 .149 0 .624 .48 .17 |
|
Wat10 .008 0 .753 .26 .13 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinoptilolite-Ca |
| |
Cappelletti P, Langella A, Cruciani G |
| |
European Journal of Mineralogy 11 (1999) 1051-1060 |
|
Crystal-chemistry and synchrotron Rietveld refinement |
|
of two different clinoptilolites from volcanoclastites |
|
of North-Western Sardinia |
|
Sample: ZC16 |
|
Locality: volcanoclastites of North-Western Sardinia |
|
_database_code_amcsd 0006813 |
|
17.6589 17.9241 7.4034 90 116.243 90 C2/m |
|
atom x y z occ Uiso |
|
Na1 .157 0 .590 .13 .04 |
|
Ca2 .043 .5 .179 .37 .10 |
|
K3 .234 .5 .038 .61 .07 |
|
Si1 .1795 .1713 .0990 .01 |
|
Si2 .2103 .4119 .5035 .02 |
|
Si3 .2074 .1892 .7067 .02 |
|
Si4 .0682 .2993 .4188 .01 |
|
Si5 0 .2170 0 .01 |
|
O1 .1872 .5 .4726 .02 |
|
O2 .2367 .1240 .6081 .03 |
|
O3 .1917 .1530 .8916 .03 |
|
O4 .2349 .1059 .2535 .03 |
|
O5 0 .3282 .5 .04 |
|
O6 .0799 .1595 .0569 .01 |
|
O7 .1275 .2347 .5541 .03 |
|
O8 .0168 .2771 .1818 .01 |
|
O9 .2139 .2532 .1927 .02 |
|
O10 .1169 .3764 .4214 .03 |
|
Wat1 .335 0 .092 .38 .09 |
|
Wat2 .118 0 .864 .44 .06 |
|
Wat3 .082 .408 .964 1.05 .14 |
|
Wat4 .5 0 .5 .03 |
|
Wat5 .027 .108 .396 .51 .04 |
|
Wat6 .125 0 .357 .37 .05 |
|
Wat7 .072 0 .683 .69 .22 |
|
Wat8 .055 0 .154 .93 .17 |
|
Wat9 .149 0 .682 .73 .11 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
