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Perlialite |
 |
Artioli G, Kvick A |
| |
European Journal of Mineralogy 2 (1990) 749-759 |
|
Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L |
|
Sample: data collected with synchrotron radiation |
|
_database_code_amcsd 0006389 |
|
18.5432 18.5432 7.5310 90 90 120 P6/mmm |
|
atom x y z occ Uiso |
|
KA 1/3 2/3 0 .39 .07 |
|
KB 1/3 2/3 .5 .38 .015 |
|
KB1 1/3 2/3 .427 .31 .015 |
|
KD .297 0 0 .52 .046 |
|
TlD1 .315 0 0 .48 .046 |
|
KE .5 0 .5 .70 .041 |
|
TlE .5 0 .5 .30 .044 |
|
Si1 .0924 .3546 .5 2/3 .032 |
|
Al1 .0924 .3546 .5 1/3 .032 |
|
Si2 .1672 .4975 .215 2/3 .062 |
|
Al2 .1672 .4975 .215 1/3 .062 |
|
O1 0 .272 .5 .01 |
|
O2 .158 .316 .5 .06 |
|
O3 .260 .520 .288 .07 |
|
O4 .1038 .4125 .326 .023 |
|
O5 .4092 .8184 .213 .06 |
|
O6 .156 .483 0 .015 |
|
WatF .11 0 0 .40 .09 |
|
WatH .134 0 .37 .91 .09 |
|
WatI .28 .14 0 .25 .03 |
|
WatJ .28 .14 .26 .19 .10 |
|
WatK 0 0 .172 .70 .10 |
|
WatN .560 .280 0 .66 .10 |
|
|
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View JMOL 3-D Structure
|
| |
|
Perlialite |
|
Artioli G, Kvick A |
| |
European Journal of Mineralogy 2 (1990) 749-759 |
|
Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L |
|
Sample: data collected with conventional diffractometer radiation |
|
_database_code_amcsd 0006390 |
|
18.5432 18.5432 7.5310 90 90 120 P6/mmm |
|
atom x y z occ Uiso |
|
KA 1/3 2/3 0 .13 .11 |
|
KB 1/3 2/3 .5 .60 .023 |
|
KB1 1/3 2/3 .443 .20 .023 |
|
KD .299 0 0 .521 .0403 |
|
TlD1 .3150 0 0 .479 .0403 |
|
KE .5 0 .5 .687 .044 |
|
TlE .5 0 .5 .313 .044 |
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Si1 .0918 .3522 .5 2/3 .031 |
|
Al1 .0918 .3522 .5 1/3 .031 |
|
Si2 .1703 .4976 .2172 2/3 .056 |
|
Al2 .1703 .4976 .2172 1/3 .056 |
|
O1 0 .276 .5 .03 |
|
O2 .1622 .3244 .5 .02 |
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O3 .2650 .530 .283 .05 |
|
O4 .1075 .4149 .331 .027 |
|
O5 .4181 .8362 .263 .06 |
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O6 .160 .489 0 .045 |
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WatF .12 0 0 .10 .10 |
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WatH .1351 0 .364 .83 .11 |
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WatI .288 .144 0 .53 .09 |
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WatJ .274 .137 .24 .42 .10 |
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WatK 0 0 .19 .37 .10 |
|
WatN .553 .277 0 .31 .10 |
|
|
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|
| |
|
Harmotome |
|
Stuckenschmidt E, Fuess H, Kvick A |
| |
European Journal of Mineralogy 2 (1990) 861-874 |
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Investigation of the structure of harmotome by X-ray (293 K, 100 K) |
|
and neutron diffraction (15 K) |
|
Sample: 293 K |
|
_database_code_amcsd 0006409 |
|
9.8688 14.1295 8.7092 90 124.74 90 P2_1/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .8620 1/4 .1946 1.82 .0306 .0153 .0233 0 .0161 0 |
|
SiT1 .7363 .0235 .2848 .65 .75 .0079 .0119 .0086 .0012 .0039 -.0003 |
|
AlT1 .7363 .0235 .2848 .35 .75 .0079 .0119 .0086 .0012 .0039 -.0003 |
|
SiT2 .4211 .1410 .0148 .84 .70 .0077 .0075 .0113 .0009 .0049 -.0000 |
|
AlT2 .4211 .1410 .0148 .16 .70 .0077 .0075 .0113 .0009 .0049 -.0000 |
|
SiT3 .0578 .0086 .2901 .70 .84 .0095 .0132 .0091 .0000 .0061 .0009 |
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AlT3 .0578 .0086 .2901 .30 .84 .0095 .0132 .0091 .0000 .0061 .0009 |
|
SiT4 .1187 .1391 .0341 .77 .92 .0126 .0095 .0129 -.0004 .0097 .0008 |
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AlT4 .1187 .1391 .0341 .23 .92 .0126 .0095 .0129 -.0004 .0097 .0008 |
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O1 .1002 .0928 .1927 2.80 .0373 .0413 .0278 -.0092 .0227 .0077 |
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O2 .6485 .5746 .1674 1.67 .0240 .0197 .0196 .0054 .0107 .0064 |
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O3 .6127 .1172 .1784 1.40 .0137 .0204 .0189 .0059 .0054 .0001 |
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O4 .0060 .9083 .1738 1.89 .0244 .0263 .0211 -.0013 .0088 -.0090 |
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O5 .9050 .0526 .2965 1.47 .0151 .0194 .0213 .0021 .0119 .0018 |
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O6 .3111 .3692 .1001 2.04 .0187 .0330 .0257 -.0043 .0164 -.0043 |
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O7 .7785 .4879 .4963 1.69 .0163 .0317 .0163 -.0036 .0099 -.0025 |
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O8 .5845 3/4 .0524 1.91 .0347 .0111 .0268 0 .0207 0 |
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O9 .0640 1/4 .0230 2.15 .0230 .0172 .0415 0 .0190 0 |
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O10 .8041 3/4 .4924 4.50 .0605 .0747 .0356 0 .0167 0 |
|
O20 .1158 3/4 .4645 4.04 .0899 .0277 .0358 0 .0343 0 |
|
O30 .3010 .8627 .1271 4.69 .0613 .0749 .0420 -.0095 .0254 -.0225 |
|
O40 .512 1/4 .486 17.4 .211 .388 .0603 0 .0304 0 |
|
O50 .496 .562 .474 11.3 .0505 .314 .0656 .0459 .0334 .0850 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Harmotome |
|
Stuckenschmidt E, Fuess H, Kvick A |
| |
European Journal of Mineralogy 2 (1990) 861-874 |
|
Investigation of the structure of harmotome by X-ray (293 K, 100 K) |
|
and neutron diffraction (15 K) |
|
Sample: 100 K |
|
_database_code_amcsd 0006410 |
|
9.841 14.085 8.680 90 124.78 90 P2_1/m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .8661 1/4 .1958 .98 .0160 .0076 .0137 0 .0089 0 |
|
SiT1 .7370 .0264 .2844 .65 .51 .0070 .0055 .0067 -.0003 .0028 -.0008 |
|
AlT1 .7370 .0264 .2844 .35 .51 .0070 .0055 .0067 -.0003 .0028 -.0008 |
|
SiT2 .4221 .1416 .0123 .84 .43 .0046 .0025 .0092 .0015 .0031 -.0005 |
|
AlT2 .4221 .1416 .0123 .16 .43 .0046 .0025 .0092 .0015 .0031 -.0005 |
|
SiT3 .0596 .0060 .2917 .70 .62 .0085 .0076 .0073 .0005 .0046 .0015 |
|
AlT3 .0596 .0060 .2917 .30 .62 .0085 .0076 .0073 .0005 .0046 .0015 |
|
SiT4 .1247 .1387 .0383 .77 .58 .0090 .0053 .0079 .0016 .0055 .0012 |
|
AlT4 .1247 .1387 .0383 .23 .58 .0090 .0053 .0079 .0016 .0055 .0012 |
|
O1 .1058 .0858 .1922 2.63 .0337 .0297 .0263 -.0078 .0201 .0053 |
|
O2 .6460 .5717 .1649 1.07 .0158 .0070 .0178 .0004 .0085 .0040 |
|
O3 .6159 .1223 .1753 .82 .0110 .0062 .0138 .0021 .0059 .0016 |
|
O4 .0015 .9054 .1751 1.38 .0168 .0190 .0165 .0007 .0065 -.0036 |
|
O5 .9091 .0532 .3005 .94 .0116 .0141 .0099 .0035 .0043 .0054 |
|
O6 .3183 .3689 .1038 1.42 .0149 .0213 .0178 -.0071 .0106 -.0051 |
|
O7 .7764 .4830 .4952 1.19 .0150 .0146 .0156 -.0021 .0099 -.0009 |
|
O8 .5956 3/4 .0660 1.09 .0177 .0017 .0221 0 .0131 0 |
|
O9 .0728 1/4 .0328 1.79 .0167 .0205 .0306 0 .0164 0 |
|
O10 .8033 3/4 .4971 2.78 .0336 .0438 .0282 0 .0103 0 |
|
O20 .1085 3/4 .4592 2.33 .0517 .0188 .0180 0 .0155 0 |
|
O30 .2971 .8633 .1275 3.73 .0570 .0513 .0335 -.0071 .0281 -.0139 |
|
O40 .5027 1/4 .4855 13.5 .221 .246 .0595 0 .010 0 |
|
O50 .4926 .565 .4661 6.5 .0389 .137 .0721 .0165 .0328 .047 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Harmotome |
|
Stuckenschmidt E, Fuess H, Kvick A |
| |
European Journal of Mineralogy 2 (1990) 861-874 |
|
Investigation of the structure of harmotome by X-ray (293 K, 100 K) |
|
and neutron diffraction (15 K) |
|
Sample: 15 K |
|
_database_code_amcsd 0006411 |
|
9.884 14.100 8.655 90 124.59 90 P2_1/m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .8271 1/4 .1945 .69 .0095 .0070 .0098 0 .0041 0 |
|
SiT1 .7322 .0052 .2913 .63 .36 .0051 .0057 .0029 .0028 .0017 0.00 |
|
AlT1 .7322 .0052 .2913 .30 .36 .0051 .0057 .0029 .0028 .0017 0.00 |
|
SiT2 .4150 .1387 .0409 .72 .55 .0056 .0059 .0092 .0006 .0041 -.0007 |
|
AlT2 .4150 .1387 .0409 .25 .55 .0056 .0059 .0092 .0006 .0041 -.0007 |
|
SiT3 .0463 .0281 .2838 .61 .46 .0081 .0036 .0058 -.0035 .0034 -.0017 |
|
AlT3 .0463 .0281 .2838 .33 .46 .0081 .0036 .0058 -.0035 .0034 -.0017 |
|
SiT4 .0897 .1414 .0117 .71 .47 .0075 .0051 .0054 -.0008 .0055 .0014 |
|
AlT4 .0897 .1414 .0117 .23 .47 .0075 .0051 .0054 -.0008 .0055 .0014 |
|
O1 .0554 .1232 .1749 .99 .0155 .0103 .0117 -.0035 .0099 -.0025 |
|
O2 .6726 .5955 .1725 1.44 .0244 .0167 .0136 .0076 .0114 .0054 |
|
O3 .5867 .0854 .1945 1.86 .0206 .0257 .0243 .0137 .0096 .0062 |
|
O4 .0203 .9300 .1660 1.22 .0203 .0124 .0136 -.0036 .0111 -.0053 |
|
O5 .8904 .0526 .2993 .97 .0136 .0116 .0116 .0007 .0082 .0008 |
|
O6 .2877 .3704 .1073 1.42 .0120 .0241 .0176 -.0016 .0099 -.0050 |
|
O7 .7820 .5195 .5045 1.33 .0120 .0249 .0138 -.0007 .0069 -.0035 |
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O8 .5366 3/4 .9614 1.41 .0165 .0108 .0263 0 .0158 0.00 |
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O9 .0292 1/4 .9316 1.17 .0161 .0106 .0177 0 .0098 0 |
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O10 .8463 3/4 .4555 1.91 .0406 .0165 .0151 0 .0027 0 |
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H1 .2043 .1969 .6238 2.99 .0418 .0252 .0464 .0008 .0109 .0084 |
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O20 .1928 3/4 .4942 2.38 .0304 .0458 .0142 0 .0030 0 |
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H2 .2702 .7065 .5020 .39 6.07 .0069 .129 .0331 .055 .0330 .0166 |
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H22 .1131 3/4 .3656 5.28 .0399 .140 .0207 0 .0056 0 |
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O30 .3330 .6373 .1280 3.12 .0381 .0539 .0263 .0094 .0077 .0204 |
|
H3 .4538 .6242 .1546 .45 4.52 .0571 .0620 .0525 .0204 .0366 .0188 |
|
H33 .3792 .6402 .2429 .92 10.71 .108 .253 .0456 .0900 .0517 .0700 |
|
H333 .2753 .5925 .1496 .60 12.18 .179 .210 .074 -.123 -.019 .081 |
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O40 .4165 .2035 .4928 .21 4.63 .0223 .129 .0241 .0346 .0170 .0043 |
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H40 .4205 .1665 .3826 .66 11.99 .1516 .246 .0590 -.040 .059 -.031 |
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H400 .3199 .2190 .4850 .21 4.39 .044 .067 .055 .015 .017 .001 |
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O41 .5318 1/4 .4913 .18 3.94 .0141 .113 .0033 0 .0068 0 |
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O50 .4681 .5514 .4607 .45 8.64 .0454 .241 .0421 .059 .0311 .031 |
|
H50 .4042 .5348 .4849 .43 8.15 .084 .148 .078 .004 .031 .076 |
|
H500 .4190 .0276 .5073 .42 9.61 .062 .236 .067 -.069 .038 -.075 |
|
O51 .4062 .6350 .4681 .17 3.44 .054 .046 .0313 -.005 .03 -.0005 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Thomsonite-Ca |
| |
Stahl K, Kvick A, Smith J V |
 |
Acta Crystallographica C46 (1990) 1370-1373 |
|
Thomsonite, a neutron diffraction study at 13 K |
|
Sample: T = 13 K |
|
_database_code_amcsd 0010164 |
|
13.1043 13.0569 13.2463 90 90 90 Pncn |
|
atom x y z occ Biso |
|
Na .05834 .50375 .36020 .5 .56 |
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Ca .05834 .50375 .36020 .5 .56 |
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Ca .49916 .47480 .49915 .44 .53 |
|
Sr .49916 .47480 .49915 .06 .53 |
|
Si1 .25 .25 .68808 .21 |
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Al1 .25 .75 .69025 .22 |
|
Si2 .11302 .69465 .50019 .26 |
|
Al2 .11948 .30637 .49585 .23 |
|
Si3 .30886 .38484 .37739 .25 |
|
Al3 .31012 .62393 .38013 .26 |
|
O1 .16923 .31182 .61795 .43 |
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O2 .15866 .69043 .61417 .43 |
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O3 .31377 .33088 .75611 .43 |
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O4 .31301 .65759 .76235 .44 |
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O5 .00214 .63666 .50126 .44 |
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O6 .18383 .62910 .42295 .51 |
|
O7 .19041 .38525 .41545 .48 |
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O8 .10428 .81256 .46124 .46 |
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O9 .11827 .18080 .45269 .50 |
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O10 .35702 .49933 .38296 .38 |
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OW1 .12620 .50179 .18922 .90 |
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OW2 .38972 .49775 .63828 .77 |
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OW3 0 .65045 .75 1.21 |
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OW4 0 .34407 .75 1.06 |
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H1 .15862 .43726 .66126 1.75 |
|
H2 .15679 .55944 .66093 1.84 |
|
H3 .36905 .43779 .67664 1.96 |
|
H4 .37059 .55568 .68072 1.93 |
|
H5 .04677 .69191 .71289 2.34 |
|
H6 .05035 .30212 .71813 2.53 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Yugawaralite |
|
Kvick A, Artioli G, Smith J V |
 |
Zeitschrift fur Kristallographie 174 (1986) 265-281 |
|
Neutron diffraction study of the zeolite yugawaralite at 13 K |
|
Locality: Hvalfjordur, Iceland |
|
Sample: T = 13 K |
|
_database_code_amcsd 0010958 |
|
6.700 13.972 10.039 90 111.07 90 Pc |
|
atom x y z occ Uiso |
|
Ca .05134 .21654 .42364 .075 |
|
Al1 0 .00710 0 .052 |
|
Al2 .39614 .35598 .65361 .051 |
|
Si1 .34121 .14798 .98083 .056 |
|
Si2 .71051 .03650 .19124 .057 |
|
Si3 .40911 .12450 .69431 .053 |
|
Si4 .02736 .47598 .43748 .053 |
|
Si5 .36039 .37327 .96046 .055 |
|
Si6 .74211 .49757 .62097 .055 |
|
O1 .10689 .10638 .94844 .083 |
|
O2 .85591 .04834 .09817 .086 |
|
O3 .19153 .07642 .59056 .078 |
|
O4 .50365 .10778 .13425 .072 |
|
O5 .43489 .11736 .86004 .091 |
|
O6 .61915 .07317 .67971 .076 |
|
O7 .84451 .06416 .35574 .075 |
|
O8 .33904 .26252 -.00394 .090 |
|
O9 .39913 .23277 .63939 .077 |
|
O10 .16380 .42664 .98834 .077 |
|
O11 .83032 .48293 .49303 .079 |
|
O12 .17154 .38236 .49904 .073 |
|
O13 .57911 .41154 .08345 .078 |
|
O14 .36053 .39320 .80583 .083 |
|
O15 .62998 .40026 .64000 .078 |
|
O16 .93634 .47014 .26478 .071 |
|
Ow1 .98759 .24929 .17041 .744 .111 |
|
Ow1a .04165 .27602 .20621 .182 .219 |
|
H11 .95821 .19582 .10667 .825 .195 |
|
H12 .03505 .30007 .12817 .883 .212 |
|
H13 .05910 .34986 .21315 .157 .238 |
|
Ow2 .90310 .23331 .61844 .106 |
|
H21 .87938 .18305 .67456 .203 |
|
H22 .81676 .28638 .62799 .173 |
|
Ow3 .70811 .29016 .32835 .978 .109 |
|
H31 .59175 .27280 .34773 .482 .195 |
|
H32 .65286 .33338 .39098 .417 .207 |
|
H33 .66062 .32229 .23748 .171 |
|
Ow4 .36920 .15938 .36919 .887 .125 |
|
Ow4a .33283 .12668 .35814 .128 .131 |
|
H41 .39007 .14373 .28329 .910 .178 |
|
H42 .49359 .13517 .44553 .704 .191 |
|
H43 .45146 .15376 .40785 .314 .450 |
|
Ow5 .81646 .25961 .92491 .119 .134 |
|
H51 .90889 .20607 .91977 .098 .134 |
|
H52 .87863 .31721 .90312 .119 .249 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gismondine |
|
Artioli G, Rinaldi R, Kvick A, Smith J V |
| |
Zeolites 6 (1986) 361-366 |
|
Neutron diffraction structure refinement of the zeolite gismondine at 15 K |
|
Locality: synthetic |
|
Sample: T = 15 K |
|
_database_code_amcsd 0015867 |
|
10.011 10.614 9.853 90 93.11 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .71243 .07174 .35977 .111 |
|
Al1 .09783 .11445 .16605 .059 |
|
Al2 .58866 .86492 .14799 .056 |
|
Si1 .41701 .11342 .18365 .052 |
|
Si2 .90696 .87029 .16244 .049 |
|
O1 .08594 .16268 .99653 .080 |
|
O2 .26410 .08016 .21490 .079 |
|
O3 .43831 .14684 .02648 .070 |
|
O4 .24580 .40345 .30058 .077 |
|
O5 .99985 .98818 .20919 .086 |
|
O6 .04313 .24651 .25317 .070 |
|
O7 .47039 .22764 .28039 .075 |
|
O8 .51143 .99265 .22922 .070 |
|
Ow1 .25843 .10659 .49653 .100 |
|
H11 .20848 .31767 .01194 .175 |
|
H12 .26257 .09735 .39871 .157 |
|
Ow2 .59508 .13096 .55060 .093 |
|
H21 .53278 .29830 .03790 .157 |
|
H22 .56213 .41867 .12553 .152 |
|
Ow3 .90921 .11782 .49859 .105 |
|
H13 .97987 .17930 .47756 .384 .153 |
|
H23 .94105 .42852 .07771 .197 |
|
H33 .96046 .30710 .00027 .616 .115 |
|
Ow4 .77553 .23209 .23491 .697 .114 |
|
H14 .72229 .28729 .17445 .613 .159 |
|
H24 .86970 .25232 .22989 .697 .153 |
|
H34 .65855 .27923 .19458 .084 .164 |
|
Ow5 .73447 .32137 .41318 .303 .128 |
|
H15 .76015 .15794 .00480 .303 .209 |
|
H25 .74585 .39881 .35918 .303 .191 |
|
Ow6 .77947 .19590 .16474 .303 .142 |
|
H16 .73394 .26797 .14126 .303 .217 |
|
H26 .87648 .22894 .19538 .303 .220 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mutinaite |
| |
Vezzalini G, Quartieri S, Galli E, Alberti A, Cruciani G, Kvick A |
| |
Zeolites 19 (1997) 323-325 |
|
Crystal structure of the zeolite mutinaite, the natural analog of ZSM-5 |
|
Locality: Mt. Adamson, Northern Victoria Land, Antarctica |
|
Note: reported occupancies do not match reported chemistry |
|
_database_code_amcsd 0015873 |
|
20.201 19.991 13.469 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Si1 .4254 .0571 .6788 .883 .018 |
|
Al1 .4254 .0571 .6788 .117 .018 |
|
Si2 .3177 .0298 .8333 .883 .022 |
|
Al2 .3177 .0298 .8333 .117 .022 |
|
Si3 .2783 .0626 .0495 .883 .023 |
|
Al3 .2783 .0626 .0495 .117 .023 |
|
Si4 .1226 .0629 .0443 .883 .018 |
|
Al4 .1226 .0629 .0443 .117 .018 |
|
Si5 .0757 .0299 .8312 .883 .016 |
|
Al5 .0757 .0299 .8312 .117 .016 |
|
Si6 .1964 .0583 .6936 .883 .021 |
|
Al6 .1964 .0583 .6936 .117 .021 |
|
Si7 .4277 .8292 .6911 .883 .018 |
|
Al7 .4277 .8292 .6911 .117 .018 |
|
Si8 .3177 .8718 .8369 .883 .020 |
|
Al8 .3177 .8718 .8369 .117 .020 |
|
Si9 .2712 .8274 .0452 .883 .019 |
|
Al9 .2712 .8274 .0452 .117 .019 |
|
Si10 .1175 .8269 .0393 .883 .018 |
|
Al10 .1175 .8269 .0393 .117 .018 |
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Si11 .0739 .8716 .8304 .883 .019 |
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Al11 .0739 .8716 .8304 .117 .019 |
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Si12 .1973 .8274 .7041 .883 .020 |
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Al12 .1973 .8274 .7041 .117 .020 |
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O1 .3865 .0561 .7848 .043 |
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O2 .3176 .0617 -.0559 .044 |
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O3 .2018 .0604 .0292 .054 |
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O4 .0882 .0621 -.0641 .051 |
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O5 .1266 .0597 .7506 .046 |
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O6 .2560 .0572 .7697 .063 |
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O7 .3850 .8438 .7906 .040 |
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O8 .3146 .8435 -.0545 .052 |
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O9 .1941 .8451 .0283 .034 |
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O10 .0808 .8404 -.0629 .050 |
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O11 .1273 .8400 .7553 .057 |
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O12 .2553 .8489 .7716 .059 |
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O13 .3182 -.0493 .838 .103 |
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O14 .0837 -.0503 .8367 .057 |
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O15 .4146 .1297 .6267 .046 |
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O16 .4011 -.0006 .6084 .048 |
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O17 .3992 .8669 .5960 .040 |
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O18 .1986 .1303 .6354 .050 |
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O19 .1985 -.0008 .6143 .059 |
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O20 .1999 .8687 .6000 .052 |
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O21 .0030 .0500 .7937 .035 |
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O22 .0026 .8521 .7847 .035 |
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O23 .4272 .75 .666 .048 |
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O24 .2031 .75 .675 .061 |
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O25 .2811 .75 .077 .041 |
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O26 .1082 .75 .070 .031 |
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Ca .4840 .25 .923 .21 .023 |
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CaX1 .458 .035 .091 .016 .072 |
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NaX1 .458 .035 .091 .015 .072 |
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WatX1 .458 .035 .091 .299 .072 |
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CaX2 .070 .25 .459 .047 .082 |
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NaX2 .070 .25 .459 .044 .082 |
|
WatX2 .070 .25 .459 .889 .082 |
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CaX3 .457 .25 .113 .025 .051 |
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NaX3 .457 .25 .113 .024 .051 |
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WatX3 .457 .25 .113 .481 .051 |
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CaX4 .191 .25 .010 .022 .111 |
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NaX4 .191 .25 .010 .021 .111 |
|
WatX4 .191 .25 .010 .417 .111 |
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CaX5 .047 .163 .648 .034 .176 |
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NaX5 .047 .163 .648 .032 .176 |
|
WatX5 .047 .163 .648 .644 .176 |
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CaX7 .060 .056 .519 .019 .219 |
|
NaX6 .060 .056 .519 .017 .219 |
|
WatX6 .060 .056 .519 .354 .219 |
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CaX7 .010 .059 .400 .016 .099 |
|
NaX7 .010 .059 .400 .015 .099 |
|
WatX7 .010 .059 .400 .299 .099 |
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CaX8 .419 .154 .955 .020 .121 |
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NaX8 .419 .154 .955 .019 .121 |
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WatX8 .419 .154 .955 .381 .121 |
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CaX9 .999 .138 .424 .010 .100 |
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NaX9 .999 .138 .424 .009 .100 |
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WatX9 .999 .138 .424 .191 .100 |
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CaX10 .486 .076 .904 .011 .093 |
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NaX10 .486 .076 .904 .010 .093 |
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WatX10 .486 .076 .904 .199 .093 |
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CaX11 .291 .25 .949 .010 .031 |
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NaX11 .291 .25 .949 .009 .031 |
|
WatX11 .291 .25 .949 .181 .031 |
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CaX12 .435 .183 .038 .010 .041 |
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NaX12 .435 .183 .038 .009 .041 |
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WatX12 .435 .183 .038 .191 .041 |
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CaX13 .425 .25 .818 .015 .166 |
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NaX13 .425 .25 .818 .014 .166 |
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WatX13 .425 .25 .818 .281 .166 |
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CaX14 .157 .25 .786 .024 .174 |
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NaX14 .157 .25 .786 .022 .174 |
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WatX14 .157 .25 .786 .444 .174 |
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CaX15 .278 .218 .818 .016 .087 |
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NaX15 .278 .218 .818 .015 .087 |
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WatX15 .278 .218 .818 .309 .087 |
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CaX16 .058 .220 .922 .014 .125 |
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NaX16 .058 .220 .922 .014 .125 |
|
WatX16 .058 .220 .922 .272 .125 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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