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Mordenite |
 |
Martucci A, Sacerdoti M, Cruciani G, Dalconi C |
| |
European Journal of Mineralogy 15 (2003) 485-493 |
|
In situ time resolved synchrotron powder diffraction study of mordenite |
|
Sample: T = 25 C |
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_database_code_amcsd 0006995 |
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18.120 20.494 7.531 90 90 90 Cmcm |
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atom x y z occ Uiso |
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NaA 0 .5 0 .775 .033 |
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WatA 0 .5 0 .225 .033 |
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KB 0 .579 .25 .035 .140 |
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WatB 0 .579 .25 .485 .140 |
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CaC .444 .215 .25 .118 .150 |
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MgC .444 .215 .25 .0055 .150 |
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SrC .444 .215 .25 .0005 .150 |
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WatD .5 .335 .25 .716 .140 |
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WatE .627 .481 .25 .952 .110 |
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CaF .5 .478 .25 .236 .043 |
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MgF .5 .478 .25 .011 .043 |
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SrF .5 .478 .25 .001 .043 |
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WatF .5 .478 .25 .173 .043 |
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WatG .5 .398 .487 .793 .096 |
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WatH .111 0 0 .294 .015 |
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WatJ 0 .060 .064 .610 .098 |
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SiT1 .303 .072 .037 .8444 .011 |
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AlT1 .303 .072 .037 .1542 .011 |
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FeT1 .303 .072 .037 .0006 .011 |
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SiT2 .305 .311 .046 .8444 .011 |
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AlT2 .305 .311 .046 .1542 .011 |
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FeT2 .305 .311 .046 .0006 .011 |
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SiT3 .088 .388 .25 .8444 .011 |
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AlT3 .088 .388 .25 .1542 .011 |
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FeT3 .088 .388 .25 .0006 .011 |
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SiT4 .085 .229 .25 .8444 .011 |
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AlT4 .085 .229 .25 .1542 .011 |
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FeT4 .085 .229 .25 .0006 .011 |
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O1 .118 .414 .443 .024 |
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O2 .121 .191 .422 .024 |
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O3 .231 .117 .990 .024 |
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O4 .095 .308 .25 .024 |
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O5 .163 .193 .75 .024 |
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O6 .179 .422 .75 .024 |
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O7 .235 .5 .5 .024 |
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O8 .25 .25 .5 .024 |
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O9 0 .405 .25 .024 |
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O10 0 .203 .25 .024 |
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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
|
| |
|
Mordenite |
|
Martucci A, Sacerdoti M, Cruciani G, Dalconi C |
| |
European Journal of Mineralogy 15 (2003) 485-493 |
|
In situ time resolved synchrotron powder diffraction study of mordenite |
|
Sample: T = 200 C |
|
_database_code_amcsd 0006996 |
|
18.074 20.446 7.531 90 90 90 Cmcm |
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atom x y z occ Uiso |
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WatA 0 .5 0 .75 .113 |
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WatB 0 .569 .154 .449 .136 |
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CaC' .410 .116 .25 .023 .08 |
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MgC' .410 .116 .25 .001 .08 |
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SrC' .410 .116 .25 .0001 .08 |
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WatC' .410 .116 .25 .096 .08 |
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CaD' .5 .254 .377 .031 .14 |
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MgD' .5 .254 .377 .0014 .14 |
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SrD' .5 .254 .377 .0001 .14 |
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WatD' .5 .254 .377 .133 .14 |
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WatE .600 .502 .25 .519 .116 |
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CaF .5 .407 .25 .3315 .130 |
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MgF .5 .407 .25 .0031 .130 |
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SrF .5 .407 .25 .0004 .130 |
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WatF .5 .407 .25 .141 .130 |
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WatG .5 .351 .419 .061 .100 |
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WatG' .5 .351 .419 .061 .100 |
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WatH .090 0 0 .178 .102 |
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WatJ 0 .103 .003 .501 .101 |
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SiT1 .306 .075 .034 .8444 .048 |
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AlT1 .306 .075 .034 .1542 .048 |
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FeT1 .306 .075 .034 .0006 .048 |
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SiT2 .306 .308 .041 .8444 .048 |
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AlT2 .306 .308 .041 .1542 .048 |
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FeT2 .306 .308 .041 .0006 .048 |
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SiT3 .092 .385 .25 .8444 .048 |
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AlT3 .092 .385 .25 .1542 .048 |
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FeT3 .092 .385 .25 .0006 .048 |
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SiT4 .086 .226 .25 .8444 .048 |
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AlT4 .086 .226 .25 .1542 .048 |
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FeT4 .086 .226 .25 .0006 .048 |
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O1 .122 .414 .443 .062 |
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O2 .124 .187 .416 .062 |
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O3 .237 .126 .986 .062 |
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O4 .090 .308 .25 .062 |
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O5 .158 .201 .75 .062 |
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O6 .185 .423 .75 .062 |
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O7 .234 .5 .5 .062 |
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O8 .25 .25 .5 .062 |
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O9 0 .400 .25 .062 |
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O10 0 .203 .25 .062 |
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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
|
| |
|
Mordenite |
|
Martucci A, Sacerdoti M, Cruciani G, Dalconi C |
| |
European Journal of Mineralogy 15 (2003) 485-493 |
|
In situ time resolved synchrotron powder diffraction study of mordenite |
|
Sample: T = 450 C |
|
_database_code_amcsd 0006997 |
|
18.024 20.386 7.503 90 90 90 Cmcm |
|
atom x y z occ Uiso |
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WatA 0 .5 0 .72 .107 |
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WatB 0 .559 .127 .260 .125 |
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WatC' .441 .125 .25 .131 .151 |
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WatD' .5 .251 .372 .110 .139 |
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WatE .586 .523 .25 .146 .166 |
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WatG .5 .313 .434 .150 .130 |
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WatG' .5 .313 .434 .150 .130 |
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WatJ 0 .075 -.024 .314 .182 |
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SiT1 .299 .073 .035 .8444 .050 |
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AlT1 .299 .073 .035 .1542 .050 |
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FeT1 .299 .073 .035 .0006 .050 |
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SiT2 .308 .306 .038 .8444 .050 |
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AlT2 .308 .306 .038 .1542 .050 |
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FeT2 .308 .306 .038 .0006 .050 |
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SiT3 .088 .387 .25 .8444 .050 |
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AlT3 .088 .387 .25 .1542 .050 |
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FeT3 .088 .387 .25 .0006 .050 |
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SiT4 .087 .227 .25 .8444 .050 |
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AlT4 .087 .227 .25 .1542 .050 |
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FeT4 .087 .227 .25 .0006 .050 |
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O1 .124 .414 .436 .068 |
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O2 .118 .191 .428 .068 |
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O3 .236 .125 .980 .068 |
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O4 .086 .306 .25 .068 |
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O5 .159 .191 .75 .068 |
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O6 .177 .417 .75 .068 |
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O7 .233 .5 .5 .068 |
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O8 .25 .25 .5 .068 |
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O9 0 .409 .25 .068 |
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O10 0 .205 .25 .068 |
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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
|
| |
|
Mordenite |
|
Martucci A, Sacerdoti M, Cruciani G, Dalconi C |
| |
European Journal of Mineralogy 15 (2003) 485-493 |
|
In situ time resolved synchrotron powder diffraction study of mordenite |
|
Sample: T = 830 C |
|
_database_code_amcsd 0006998 |
|
18.029 20.308 7.493 90 90 90 Cmcm |
|
atom x y z occ Uiso |
|
NaA 0 .5 0 .547 .123 |
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WatA 0 .5 0 .88 .123 |
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WatB 0 .559 .125 .104 .090 |
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WatC' .410 .179 .25 .107 .107 |
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WatD' .5 .288 .350 .133 .142 |
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SiT1 .303 .073 .038 .8444 .058 |
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AlT1 .303 .073 .038 .1542 .058 |
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FeT1 .303 .073 .038 .0006 .058 |
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SiT2 .308 .309 .039 .8444 .058 |
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AlT2 .308 .309 .039 .1542 .058 |
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FeT2 .308 .309 .039 .0006 .058 |
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SiT3 .089 .387 .25 .8444 .058 |
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AlT3 .089 .387 .25 .1542 .058 |
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FeT3 .089 .387 .25 .0006 .058 |
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SiT4 .084 .227 .25 .8444 .058 |
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AlT4 .084 .227 .25 .1542 .058 |
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FeT4 .084 .227 .25 .0006 .058 |
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O1 .119 .413 .442 .079 |
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O2 .120 .197 .429 .079 |
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O3 .234 .121 .993 .079 |
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O4 .085 .306 .25 .079 |
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O5 .158 .197 .75 .079 |
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O6 .167 .421 .75 .079 |
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O7 .230 .5 .5 .079 |
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O8 .25 .25 .5 .079 |
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O9 0 .411 .25 .079 |
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O10 0 .194 .25 .079 |
|
|
| 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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