|
Gismondine |
 |
Fischer K F |
 |
American Mineralogist 48 (1963) 664-672 |
|
The crystal structure determination of the zeolite gismondite. CaAl2Si2O8.4H2O |
|
_database_code_amcsd 0000123 |
|
10.02 10.62 9.84 90 92.42 90 P2_1/c |
|
atom x y z occ |
|
Si1 .415 .113 .182 |
|
Si2 .908 .870 .160 |
|
Al1 .097 .113 .170 |
|
Al2 .590 .867 .149 |
|
Ca .720 .077 .354 |
|
O1 .078 .154 -.001 |
|
O2 .262 .075 .212 |
|
O3 .438 .145 .026 |
|
O4 .246 .407 .303 |
|
O5 0 -.017 .215 |
|
O6 .044 .242 .261 |
|
O7 .463 .224 .276 |
|
O8 .511 -.005 .226 |
|
Wat1 .257 .107 .505 |
|
Wat2 .590 .127 .539 |
|
Wat3 .911 .119 .501 |
|
Wat4 .77 .21 .17 .5 |
|
Wat5 .74 .18 .895 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Gismondine |
|
Ori S, Quartieri S, Vezzalini G, Dmitriev V |
|
American Mineralogist 93 (2008) 1393-1403 |
|
Pressure-induced over-hydration and water ordering in gismondine: |
|
a synchrotron powder diffraction study |
|
Locality: Ballyclare, Ireland |
|
Note: ambient pressure |
|
_database_code_amcsd 0004631 |
|
10.0155 10.6051 9.8277 90 92.409 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .7159 .0772 .3564 .052 |
|
All .0987 .1136 .1671 .015 |
|
Al2 .5917 .8652 .1514 .015 |
|
Sil .4110 .1088 .1791 .015 |
|
Si2 .9101 .870 .1618 .015 |
|
O1 .072 .159 .9981 .005 |
|
O2 .2608 .067 .215 .005 |
|
O3 .435 .151 .0237 .005 |
|
O4 .2430 .401 .302 .005 |
|
O5 .004 .986 .217 .005 |
|
O6 .043 .2412 .261 .005 |
|
O7 .461 .227 .273 .005 |
|
O8 .504 .989 .222 .005 |
|
Watl .254 .104 .503 .022 |
|
Wat2 .591 .122 .536 .022 |
|
Wat3 .911 .116 .495 .022 |
|
Wat4 .777 .239 .240 .38 .022 |
|
Wat5 .734 .307 .410 .62 .022 |
|
Wat6 .777 .083 .040 .15 .022 |
|
Wat7 .760 .198 .147 .62 .022 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Gismondine |
|
Ori S, Quartieri S, Vezzalini G, Dmitriev V |
|
American Mineralogist 93 (2008) 1393-1403 |
|
Pressure-induced over-hydration and water ordering in gismondine: |
|
a synchrotron powder diffraction study |
|
Locality: Ballyclare, Ireland |
|
Note: pressure = 1.6 GPa |
|
_database_code_amcsd 0004632 |
|
9.8917 10.5948 9.7482 90 92.200 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .7285 .0824 .3543 .070 |
|
All .095 .113 .168 .026 |
|
Al2 .591 .863 .151 .026 |
|
Sil .412 .112 .183 .026 |
|
Si2 .909 .866 .163 .026 |
|
O1 .071 .160 .998 .016 |
|
O2 .260 .072 .221 .016 |
|
O3 .436 .151 .026 .016 |
|
O4 .243 .404 .298 .016 |
|
O5 .005 .980 .218 .016 |
|
O6 .036 .236 .269 .016 |
|
O7 .471 .226 .278 .016 |
|
O8 .501 .988 .220 .016 |
|
Watl .259 .102 .501 .033 |
|
Wat2 .592 .125 .532 .033 |
|
Wat3 .910 .122 .503 .033 |
|
Wat4 .77 .274 .20 .23 .033 |
|
Wat5 .745 .318 .360 .77 .033 |
|
Wat6 .760 .152 .06 .50 .033 |
|
Wat7 .767 .175 .14 .50 .033 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Gismondine |
|
Ori S, Quartieri S, Vezzalini G, Dmitriev V |
|
American Mineralogist 93 (2008) 1393-1403 |
|
Pressure-induced over-hydration and water ordering in gismondine: |
|
a synchrotron powder diffraction study |
|
Locality: Ballyclare, Ireland |
|
Note: pressure = 1.9 GPa |
|
_database_code_amcsd 0004633 |
|
9.7975 10.626 9.6977 90 91.225 90 P2_1/c |
|
atom x y z Uiso |
|
Ca .744 .0777 .346 .091 |
|
All .096 .114 .170 .032 |
|
Al2 .583 .860 .158 .032 |
|
Sil .417 .108 .184 .032 |
|
Si2 .909 .862 .163 .032 |
|
O1 .071 .164 .000 .026 |
|
O2 .261 .071 .220 .026 |
|
O3 .434 .139 .022 .026 |
|
O4 .248 .397 .303 .026 |
|
O5 .006 .978 .212 .026 |
|
O6 .029 .233 .271 .026 |
|
O7 .485 .225 .267 .026 |
|
O8 .500 .985 .236 .026 |
|
Watl .260 .111 .497 .038 |
|
Wat2 .597 .128 .519 .038 |
|
Wat3 .906 .119 .514 .038 |
|
Wat5 .764 .303 .326 .038 |
|
Wat7 .758 .149 .099 .038 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Gismondine |
|
Ori S, Quartieri S, Vezzalini G, Dmitriev V |
|
American Mineralogist 93 (2008) 1393-1403 |
|
Pressure-induced over-hydration and water ordering in gismondine: |
|
a synchrotron powder diffraction study |
|
Locality: Ballyclare, Ireland |
|
Note: pressure = 0 after decompression |
|
_database_code_amcsd 0004634 |
|
10.0264 10.6094 9.8377 90 92.369 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .7164 .0793 .356 .071 |
|
All .094 .112 .166 .025 |
|
Al2 .593 .866 .148 .025 |
|
Sil .412 .108 .181 .025 |
|
Si2 .909 .869 .160 .025 |
|
O1 .077 .168 .999 .013 |
|
O2 .261 .062 .212 .013 |
|
O3 .435 .157 .027 .013 |
|
O4 .243 .406 .303 .013 |
|
O5 .006 .982 .215 .013 |
|
O6 .048 .244 .254 .013 |
|
O7 .459 .231 .269 .013 |
|
O8 .505 .988 .222 .013 |
|
Watl .248 .110 .502 .035 |
|
Wat2 .585 .117 .552 .035 |
|
Wat3 .911 .120 .492 .035 |
|
Wat4 .802 .268 .246 .44 .035 |
|
Wat5 .749 .294 .392 .56 .035 |
|
Wat6 .754 .11 .01 .16 .035 |
|
Wat7 .750 .194 .168 .79 .035 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Gismondine |
|
Wadoski-Romeijn E, Armbruster T |
| |
American Mineralogist 98 (2013) 1988-1997 |
|
Topotactic transformation and dehydration of the zeolite gismondine |
|
to a novel Ca feldspar structure |
|
Note: T = 25 C, Phase A, Path 1 |
|
Locality: Rio Pian del Foco, Genova province, Italy |
|
_database_code_amcsd 0020099 |
|
10.0214 10.5997 9.8327 90 92.363 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .71584 .07706 .35506 .898 .03260 .0350 .0433 .01924 -.0126 -.0017 -.00591 |
|
Ca2 .7656 .0735 .3411 .102 .03260 .0350 .0433 .01924 -.0126 -.0017 -.00591 |
|
Si1 .41466 .11265 .18172 .00791 .00866 .00745 .00761 .00082 .00013 -.00021 |
|
Si2 .90803 .86989 .16043 .00807 .00784 .00858 .00779 -.00049 .00033 .00013 |
|
Al1 .09669 .11315 .16898 .00806 .00838 .00787 .00793 -.00134 .00020 -.00105 |
|
Al2 .59069 .86664 .14869 .00840 .00976 .00812 .00735 .00160 .00069 .00051 |
|
O1 .07975 .15644 .00011 .0199 .0260 .0259 .0080 .0046 .0015 -.0005 |
|
O2 .26200 .07645 .21320 .01744 .0091 .0222 .0210 .0000 .0011 .0046 |
|
O3 .43436 .14800 .02494 .01679 .0235 .0181 .0088 -.0015 .0009 .0012 |
|
O4 .24443 .40355 .30367 .01680 .0085 .0236 .0183 -.0019 .0013 .0034 |
|
O5 .00001 .98590 .21336 .0212 .0233 .0163 .0240 -.0101 -.0008 -.0013 |
|
O6 .04550 .24264 .26038 .01675 .0169 .0136 .0198 -.0013 .0006 -.0063 |
|
O7 .46405 .22850 .27766 .01574 .0225 .0108 .0138 -.0007 .0000 -.0043 |
|
O8 .51116 .99406 .22607 .01262 .0143 .0103 .0134 .0052 .0013 .0000 |
|
OW1 .25920 .10418 .50260 .0340 .0501 .0277 .0244 -.0022 .0057 -.0005 |
|
OW2 .59255 .12702 .54227 .0316 .0342 .0278 .0334 .0096 .0063 .0092 |
|
OW3 .91067 .11644 .50028 .0356 .0367 .0348 .0350 -.0138 -.0022 .0046 |
|
Wat4 .7720 .2377 .2350 .508 .0553 .0261 .054 .085 -.0092 -.0104 .047 |
|
Wat5 .7417 .3172 .4044 .492 .0570 .045 .0244 .099 -.0093 -.019 .0193 |
|
Wat6A .7788 .2036 .1636 .25 .0450 .032 .050 .052 -.006 .001 .027 |
|
Wat6B .7517 .1657 .1153 .25 .0450 .032 .050 .052 -.006 .001 .027 |
|
H11 .222 .1861 .514 .096 |
|
H21 .258 .102 .4053 .094 |
|
H12 .545 .2042 .534 .058 |
|
H22 .556 .078 .612 .101 |
|
H13 .951 .1977 .496 .068 |
|
H23 .926 .070 .580 .073 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Gismondine |
|
Wadoski-Romeijn E, Armbruster T |
| |
American Mineralogist 98 (2013) 1988-1997 |
|
Topotactic transformation and dehydration of the zeolite gismondine |
|
to a novel Ca feldspar structure |
|
Note: T = 75 C, Phase B, Path 1 |
|
Locality: Rio Pian del Foco, Genova province, Italy |
|
_database_code_amcsd 0020100 |
|
13.6801 10.4670 13.8667 90 90 90 P2_12_12_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .9029 .7578 .25273 .0086 .0112 .0108 .0037 -.0024 -.0017 -.0003 |
|
Si2 .83250 .0317 .48595 .0097 .0096 .0108 .0088 .0006 -.0009 -.0015 |
|
Si3 .5682 .7606 .25274 .0089 .0121 .0103 .0044 -.0035 -.0010 .0013 |
|
Si4 .66629 .5313 .51577 .0103 .0097 .0113 .0099 -.0003 -.0011 .0021 |
|
Al1 .7379 .7812 .4139 .0107 .0092 .0125 .0106 -.0011 .0005 -.0005 |
|
Al2 .00516 .5079 .1725 .0089 .0061 .0093 .0112 .0035 .0018 .0026 |
|
Al3 .50578 .5083 .3549 .0087 .0058 .0090 .0113 -.0005 .0022 .0028 |
|
Al4 .7267 .7140 .0960 .0111 .0091 .0116 .0126 -.0003 -.0009 .0000 |
|
O1 .6159 .7023 .1573 .0190 .018 .021 .019 .001 .005 -.005 |
|
O2 .9592 .8938 .2404 .0155 .015 .015 .016 -.005 .002 -.005 |
|
O3 .9026 .9823 .5719 .0194 .020 .023 .015 .001 -.008 .000 |
|
O4 .5858 .5436 .5990 .0224 .021 .025 .021 -.001 .006 .006 |
|
O5 .8268 .7619 .1646 .0205 .020 .021 .020 -.003 -.006 .002 |
|
O6 .6169 .4870 .4147 .0183 .015 .027 .013 .007 -.006 -.005 |
|
O7 .8846 .0487 .3836 .0180 .016 .021 .017 .003 .007 -.001 |
|
O8 .4913 .6580 .2997 .0171 .014 .017 .021 -.001 .001 .005 |
|
O9 .6484 .8046 .3286 .0199 .019 .025 .016 -.001 -.007 -.001 |
|
O10 .8487 .7490 .3572 .0192 .015 .023 .019 .001 .002 .001 |
|
O11 .7172 .6714 .5051 .0182 .023 .013 .019 -.001 .004 .003 |
|
O12 .9768 .6410 .2424 .0198 .017 .021 .021 .005 -.004 -.006 |
|
O13 .4977 .3858 .2744 .0191 .021 .017 .019 -.004 .004 -.005 |
|
O14 .7515 .4316 .5440 .0188 .016 .016 .024 .003 -.006 .004 |
|
O15 .7751 .1603 .5144 .0177 .017 .016 .020 .003 .001 -.006 |
|
O16 .7470 .9215 .4856 .0181 .017 .014 .024 -.006 .004 -.003 |
|
Ca1 .31733 .6997 .34687 .0239 .0206 .0199 .0311 -.0012 -.0045 .0023 |
|
Ca2 .87857 .9599 .08605 .0228 .0216 .0242 .0225 .0001 -.0027 .0039 |
|
Wat1 .1394 .6879 .3441 .0316 .020 .041 .034 .007 -.007 -.013 |
|
Wat2 .2573 .5150 .2619 .033 .036 .023 .040 .004 -.017 -.008 |
|
Wat3 .3834 .9004 .3761 .0310 .031 .025 .037 -.002 .012 -.004 |
|
Wat4 .2911 .7876 .1811 .055 .057 .046 .062 -.019 -.034 .017 |
|
Wat5 .9402 .8432 -.0443 .072 .044 .104 .067 -.018 .024 -.057 |
|
Wat6 .0237 .0640 .0487 .071 .062 .112 .037 -.048 .018 -.029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Gismondine |
|
Wadoski-Romeijn E, Armbruster T |
| |
American Mineralogist 98 (2013) 1988-1997 |
|
Topotactic transformation and dehydration of the zeolite gismondine |
|
to a novel Ca feldspar structure |
|
Note: T = 150 C, Phase C, Path 1 |
|
Locality: Rio Pian del Foco, Genova province, Italy |
|
_database_code_amcsd 0020101 |
|
13.9014 8.9469 13.9697 90 90 90 P2_12_12_1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .0610 .2424 .7502 .0203 .011 .028 .0217 .0006 -.0002 .0018 |
|
Si2 .6309 .7553 .7516 .0207 .0083 .027 .027 -.0004 .0007 .0022 |
|
Si3 .1508 .3880 .4635 .0189 .0132 .0218 .0217 .0005 .0008 .0005 |
|
Si4 .6493 .3953 .9673 .0191 .0121 .0219 .0232 .0000 -.0010 .0017 |
|
Al1 .9979 .9981 .1805 .0206 .011 .027 .024 .0011 .0003 .0009 |
|
Al2 .4947 .0083 .3879 .0210 .015 .026 .023 -.0019 .0003 -.0012 |
|
Al3 .7137 .3541 .3923 .0187 .0098 .025 .0208 -.0013 .0009 .0026 |
|
Al4 .2142 .3630 .8948 .0208 .015 .023 .024 -.0010 .0007 -.0021 |
|
O1 .9850 .3361 .6869 .032 .016 .034 .046 .001 -.009 .008 |
|
O2 .4901 .3398 .1742 .027 .015 .038 .029 .001 -.013 .011 |
|
O3 .5525 .8864 .7690 .027 .024 .036 .021 .006 -.001 .001 |
|
O4 .0793 .9041 .2574 .028 .017 .039 .027 .001 -.006 -.003 |
|
O5 .1183 .1158 .6901 .031 .021 .042 .029 -.003 .008 .006 |
|
O6 .6283 .1406 .1951 .034 .030 .039 .031 .005 .005 -.002 |
|
O7 .1664 .2175 .5010 .026 .019 .035 .025 -.002 -.003 .005 |
|
O8 .6759 .2294 .0042 .032 .037 .033 .026 .005 -.007 .001 |
|
O9 .2551 .9649 .5861 .024 .006 .027 .040 .001 .005 .001 |
|
O10 .7471 .9565 .0684 .026 .012 .029 .036 .000 -.001 .004 |
|
O11 .1173 .9974 .9449 .029 .015 .035 .037 -.001 -.002 -.005 |
|
O12 .5991 .0118 .4574 .031 .020 .049 .024 -.005 -.004 -.010 |
|
O13 .7973 .2378 .3426 .033 .017 .046 .036 .007 .003 .007 |
|
O14 .3185 .2820 .8513 .032 .025 .046 .025 .014 .005 -.002 |
|
O15 .0794 .3674 .3727 .024 .019 .031 .024 .000 -.006 .002 |
|
O16 .5594 .3866 .8973 .029 .012 .037 .038 -.001 -.006 .000 |
|
Ca1 .0720 .0886 .3845 .0331 .0299 .0411 .0282 .0016 -.0091 -.0026 |
|
Ca2A .8618 .3310 .8247 .791 .0311 .019 .043 .031 .0072 .0025 -.0020 |
|
Ca2B .8404 .240 .8935 .150 .030 |
|
Wat1 .2437 .864 .8207 .057 .030 .106 .035 .013 -.006 -.008 |
|
Wat2 .7414 .884 .3188 .071 .044 .055 .114 -.005 .015 -.024 |
|
Wat3 .0703 .8570 .4900 .047 .043 .043 .055 .000 .003 .000 |
|
Wat4 .9433 .1294 .4972 .062 .026 .060 .100 -.008 .017 .007 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Gismondine |
|
Wadoski-Romeijn E, Armbruster T |
| |
American Mineralogist 98 (2013) 1988-1997 |
|
Topotactic transformation and dehydration of the zeolite gismondine |
|
to a novel Ca feldspar structure |
|
Note: T = 75 C, Path 2 |
|
Locality: Rio Pian del Foco, Genova province, Italy |
|
_database_code_amcsd 0020102 |
|
9.790 10.437 9.790 90 90.97 90 I2/a |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .06981 .35773 .34690 .0134 .0126 .0119 .0156 .00100 .0008 -.0010 |
|
Al .10332 .11131 .16930 .0140 .0150 .0128 .0143 -.0023 .0018 -.0022 |
|
Ca1 .3047 -.0854 .3313 .254 .0362 .052 .024 .033 .0073 .0133 .0027 |
|
Ca2 -.0947 .1612 .5544 .186 .0361 .032 .029 .046 -.0016 -.0094 .0034 |
|
O1 -.0369 .4629 .2857 .0277 .0367 .0223 .0238 .0141 -.0055 -.0005 |
|
O2 .0528 .3419 .5079 .0302 .0433 .0313 .0161 -.0021 .0011 -.0018 |
|
O3 .0310 .2210 .2800 .0267 .0265 .0188 .0348 -.0001 .0035 -.0132 |
|
O4 .2784 .0968 .1954 .0307 .0142 .0317 .046 -.0027 .0072 .0024 |
|
Wat1 .2261 -.2820 .4124 .395 .076 .053 .098 .079 -.022 .013 -.016 |
|
Wat2 -.0298 .0590 .5103 .60 .129 .075 .24 .069 .012 .001 .044 |
|
Wat3 -.1621 -.0303 .4980 .41 .099 .106 .138 .054 .046 -.005 -.016 |
|
Wat4 .276 -.149 .296 .51 .17 .062 .29 .14 .08 -.003 .07 |
|
Wat5 .245 -.239 .309 .13 .032 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Gismondine |
|
Wadoski-Romeijn E, Armbruster T |
| |
American Mineralogist 98 (2013) 1988-1997 |
|
Topotactic transformation and dehydration of the zeolite gismondine |
|
to a novel Ca feldspar structure |
|
Note: T = 225 C, Path 2 |
|
Locality: Rio Pian del Foco, Genova province, Italy |
|
_database_code_amcsd 0020103 |
|
9.434 9.0440 9.6950 90 89.040 90 I2/a |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .05556 .32064 .38602 .01788 .0187 .0172 .0179 .00184 -.00360 -.00106 |
|
Al .13201 .07978 .18112 .01776 .0188 .0163 .0182 -.00066 -.00281 -.00112 |
|
Ca1 -.17893 .20622 .18672 .389 .0383 |
|
Ca2 .0640 .0484 .5680 .084 .0318 |
|
O1 -.09122 .39158 .32814 .0246 |
|
O2 .0500 .3228 .55227 .0330 |
|
O3 .0627 .15111 .33389 .0297 |
|
O4 .18636 .4183 .3271 .0379 |
|
Wat1 .25 -.1164 .5 .124 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Gismondine |
|
Vezzalini G, Quartieri S, Alberti A |
| |
Zeolites 13 (1993) 34-42 |
|
Structural modifications induced by dehydration in the zeolite gismondine |
|
Locality: Montalto di Castro, Italy |
|
Sample: dehydration t = 1 hr |
|
_database_code_amcsd 0015868 |
|
9.989 10.616 9.820 90 92.57 90 *P2_1 |
|
0 0 .25 |
|
atom x y z Uiso |
|
Ca .7155 .0689 .3579 .022 |
|
CaP .2837 .9337 .6407 .022 |
|
Al1 .0965 .1149 .1679 .0069 |
|
Al1f .0965 .3851 .6679 .0069 |
|
Al2 .5873 .8645 .1468 .0064 |
|
Al2f .5873 .6355 .6468 .0064 |
|
Si1 .4163 .1129 .1836 .0062 |
|
Si1f .4163 .3871 .6836 .0062 |
|
Si2 .9073 .8717 .1616 .0058 |
|
Si2f .9073 .6283 .6616 .0058 |
|
O1 .0810 .1576 .9972 .014 |
|
O1f .0810 .3424 .4972 .014 |
|
O2 .2619 .0807 .2146 .013 |
|
O2f .2619 .4193 .7146 .013 |
|
O3 .4400 .1478 .0253 .011 |
|
O3f .4400 .3522 .5253 .011 |
|
O4 .2487 .4021 .3037 .013 |
|
O4f .2487 .0979 .8037 .013 |
|
O5 .9969 .9883 .2135 .013 |
|
O5f .9969 .5117 .7135 .013 |
|
O6 .0435 .2486 .2560 .009 |
|
O6f .0435 .2514 .7560 .009 |
|
O7 .4704 .2258 .2788 .010 |
|
O7f .4704 .2742 .7788 .010 |
|
O8 .5088 .9912 .2283 .010 |
|
O8f .5088 .5088 .7283 .010 |
|
Wat1 .2556 .1184 .4997 .026 |
|
Wat1P .7480 .8992 .5069 .021 |
|
Wat2 .5931 .1196 .5541 .017 |
|
Wat2P .4034 .8553 .4582 .012 |
|
Wat3 .9011 .1370 .4995 .013 |
|
Wat3P .0846 .8948 .4948 .018 |
|
Wat4 .7743 .2537 .2557 .023 |
|
Wat7P .2286 .7763 .7834 .028 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Gismondine |
|
Vezzalini G, Quartieri S, Alberti A |
| |
Zeolites 13 (1993) 34-42 |
|
Structural modifications induced by dehydration in the zeolite gismondine |
|
Locality: Montalto di Castro, Italy |
|
Sample: dehydration t = 24 hr |
|
_database_code_amcsd 0015869 |
|
13.902 8.892 13.952 90 90 90 *P2_12_12_1 |
|
.25 .25 .25 |
|
atom x y z Uiso |
|
Ca1 .8233 .8366 .1344 .016 |
|
Ca2 .6105 .0773 .5755 .028 |
|
Al1 .7480 .7488 .9306 .014 |
|
Al2 .2456 .7602 .1389 .014 |
|
Al3 .4648 .1010 .1419 .011 |
|
Al4 .9646 .1181 .6465 .014 |
|
Si1 .8119 .9880 .4995 .010 |
|
Si2 .3810 .5056 .5019 .012 |
|
Si3 .9012 .1352 .2143 .011 |
|
Si4 .3985 .1474 .7174 .012 |
|
O1 .737 .081 .433 .021 |
|
O2 .240 .090 .923 .010 |
|
O3 .303 .637 .519 .006 |
|
O4 .829 .656 .005 .013 |
|
O5 .871 .860 .439 .009 |
|
O6 .380 .893 .948 .017 |
|
O7 .917 .966 .250 .008 |
|
O8 .425 .977 .749 .021 |
|
O9 .006 .714 .338 .008 |
|
O10 .495 .701 .821 .010 |
|
O11 .867 .742 .695 .012 |
|
O12 .351 .765 .207 .013 |
|
O13 .548 .984 .094 .008 |
|
O14 .070 .028 .603 .012 |
|
O15 .829 .116 .120 .015 |
|
O16 .307 .129 .646 .016 |
|
Wat1 .992 .611 .571 .029 |
|
Wat2 .496 .640 .072 .047 |
|
Wat3 .819 .604 .238 .030 |
|
Wat4 .691 .881 .246 .039 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: 