|
Stratlingite |
 |
Rinaldi R, Sacerdoti M, Passaglia E |
| |
European Journal of Mineralogy 2 (1990) 841-849 |
|
Stratlingite: crystal structure, chemistry, and a reexamination |
|
of its polytype vertumnite |
|
_database_code_amcsd 0006404 |
|
5.745 5.745 37.77 90 90 120 R-3m |
|
atom x y z occ Uiso |
|
Al 0 0 0 .014 |
|
Ca 1/3 2/3 .0142 .016 |
|
Al1 0 0 .1237 .27 .032 |
|
Si1 0 0 .1237 .27 .032 |
|
Al2 2/3 1/3 .1227 .285 .033 |
|
Si2 2/3 1/3 .1227 .285 .033 |
|
O1 2/3 1/3 .1662 .086 |
|
OH1 .830 .170 .1067 .112 |
|
OH2 .749 .054 .0268 .5 .012 |
|
Wat1 1/3 2/3 .1667 .25 .098 |
|
Wat2 1/3 2/3 .0812 .035 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Barrerite |
|
Meneghinello E, Alberti A, Cruciani G, Sacerdoti M, McIntyre G, |
|
Ciambelli P, Rapascciuolo M T |
| |
European Journal of Mineralogy 12 (2000) 1123-1129 |
|
Single crystal neutron diffraction study of the natural zeolite barrerite |
|
in its ND4-exchanged form |
|
_database_code_amcsd 0006847 |
|
13.601 18.232 17.810 90 90 90 Fmmm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiT1 .3856 .3077 .3761 .7915 .027 .036 .040 0 -.002 -.002 |
|
AlT1 .3856 .3077 .3761 .2085 .027 .036 .040 0 -.002 -.002 |
|
SiT3 .3010 .4107 .5 .7915 .028 .035 .040 -.003 0 0 |
|
AlT3 .3010 .4107 .5 .2085 .028 .035 .040 -.003 0 0 |
|
SiT4 .3882 .1840 .5 .7915 .024 .037 .036 .006 0 0 |
|
AlT4 .3882 .1840 .5 .2085 .024 .037 .036 .006 0 0 |
|
SiT5 .25 .25 .25 .7915 .020 .057 .029 0 0 0 |
|
AlT5 .25 .25 .25 .2085 .020 .057 .029 0 0 0 |
|
O1 .3176 .3042 .3013 .046 .063 .055 -.011 -.015 .017 |
|
O3 .3720 .2318 .4256 .041 .063 .058 -.009 -.008 .021 |
|
O4 .3563 .3799 .4247 .064 .059 .070 -.009 .024 -.020 |
|
O7 .5 .3162 .3489 .032 .058 .061 0 0 -.003 |
|
O8 .3153 .1138 .5 .033 .043 .075 -.005 0 0 |
|
O9 .3093 .5 .5 .047 .037 .075 0 0 0 |
|
O10 .5 .1506 .5 .023 .056 .054 0 0 0 |
|
Wat1 .461 .122 .306 .21 .062 |
|
Wat2 .5 .130 .307 .25 .036 |
|
Wat3 .474 0 .431 .34 .14 |
|
Wat4 .405 0 .386 .26 .11 |
|
Wat6 .389 0 .319 .19 .07 |
|
Wat8 .5 .5 .372 .058 .049 .13 0 0 0 |
|
Wat11 .398 .094 .316 .15 .08 |
|
NaC1 .5 0 .291 .10625 .03 |
|
KC1 .5 0 .291 .03 .03 |
|
MgC1 .5 0 .291 .0475 .03 |
|
CaC1 .5 0 .291 .1625 .03 |
|
BaC1 .5 0 .291 .0025 .03 |
|
NH4C2 .291 .058 .292 .00875 .13 |
|
ND42 .5 .090 .273 .12 .19 |
|
ND43 .337 .028 .234 .11 .12 |
|
ND44 .338 .068 .331 .15 .09 |
|
|
| Download AMC data (View Text File)
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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 = 25 C |
|
_database_code_amcsd 0006995 |
|
18.120 20.494 7.531 90 90 90 Cmcm |
|
atom x y z occ Uiso |
|
NaA 0 .5 0 .775 .033 |
|
WatA 0 .5 0 .225 .033 |
|
KB 0 .579 .25 .035 .140 |
|
WatB 0 .579 .25 .485 .140 |
|
CaC .444 .215 .25 .118 .150 |
|
MgC .444 .215 .25 .0055 .150 |
|
SrC .444 .215 .25 .0005 .150 |
|
WatD .5 .335 .25 .716 .140 |
|
WatE .627 .481 .25 .952 .110 |
|
CaF .5 .478 .25 .236 .043 |
|
MgF .5 .478 .25 .011 .043 |
|
SrF .5 .478 .25 .001 .043 |
|
WatF .5 .478 .25 .173 .043 |
|
WatG .5 .398 .487 .793 .096 |
|
WatH .111 0 0 .294 .015 |
|
WatJ 0 .060 .064 .610 .098 |
|
SiT1 .303 .072 .037 .8444 .011 |
|
AlT1 .303 .072 .037 .1542 .011 |
|
FeT1 .303 .072 .037 .0006 .011 |
|
SiT2 .305 .311 .046 .8444 .011 |
|
AlT2 .305 .311 .046 .1542 .011 |
|
FeT2 .305 .311 .046 .0006 .011 |
|
SiT3 .088 .388 .25 .8444 .011 |
|
AlT3 .088 .388 .25 .1542 .011 |
|
FeT3 .088 .388 .25 .0006 .011 |
|
SiT4 .085 .229 .25 .8444 .011 |
|
AlT4 .085 .229 .25 .1542 .011 |
|
FeT4 .085 .229 .25 .0006 .011 |
|
O1 .118 .414 .443 .024 |
|
O2 .121 .191 .422 .024 |
|
O3 .231 .117 .990 .024 |
|
O4 .095 .308 .25 .024 |
|
O5 .163 .193 .75 .024 |
|
O6 .179 .422 .75 .024 |
|
O7 .235 .5 .5 .024 |
|
O8 .25 .25 .5 .024 |
|
O9 0 .405 .25 .024 |
|
O10 0 .203 .25 .024 |
|
|
| Download AMC data (View Text File)
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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 |
|
atom x y z occ Uiso |
|
WatA 0 .5 0 .75 .113 |
|
WatB 0 .569 .154 .449 .136 |
|
CaC' .410 .116 .25 .023 .08 |
|
MgC' .410 .116 .25 .001 .08 |
|
SrC' .410 .116 .25 .0001 .08 |
|
WatC' .410 .116 .25 .096 .08 |
|
CaD' .5 .254 .377 .031 .14 |
|
MgD' .5 .254 .377 .0014 .14 |
|
SrD' .5 .254 .377 .0001 .14 |
|
WatD' .5 .254 .377 .133 .14 |
|
WatE .600 .502 .25 .519 .116 |
|
CaF .5 .407 .25 .3315 .130 |
|
MgF .5 .407 .25 .0031 .130 |
|
SrF .5 .407 .25 .0004 .130 |
|
WatF .5 .407 .25 .141 .130 |
|
WatG .5 .351 .419 .061 .100 |
|
WatG' .5 .351 .419 .061 .100 |
|
WatH .090 0 0 .178 .102 |
|
WatJ 0 .103 .003 .501 .101 |
|
SiT1 .306 .075 .034 .8444 .048 |
|
AlT1 .306 .075 .034 .1542 .048 |
|
FeT1 .306 .075 .034 .0006 .048 |
|
SiT2 .306 .308 .041 .8444 .048 |
|
AlT2 .306 .308 .041 .1542 .048 |
|
FeT2 .306 .308 .041 .0006 .048 |
|
SiT3 .092 .385 .25 .8444 .048 |
|
AlT3 .092 .385 .25 .1542 .048 |
|
FeT3 .092 .385 .25 .0006 .048 |
|
SiT4 .086 .226 .25 .8444 .048 |
|
AlT4 .086 .226 .25 .1542 .048 |
|
FeT4 .086 .226 .25 .0006 .048 |
|
O1 .122 .414 .443 .062 |
|
O2 .124 .187 .416 .062 |
|
O3 .237 .126 .986 .062 |
|
O4 .090 .308 .25 .062 |
|
O5 .158 .201 .75 .062 |
|
O6 .185 .423 .75 .062 |
|
O7 .234 .5 .5 .062 |
|
O8 .25 .25 .5 .062 |
|
O9 0 .400 .25 .062 |
|
O10 0 .203 .25 .062 |
|
|
| Download AMC data (View Text File)
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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 |
|
WatA 0 .5 0 .72 .107 |
|
WatB 0 .559 .127 .260 .125 |
|
WatC' .441 .125 .25 .131 .151 |
|
WatD' .5 .251 .372 .110 .139 |
|
WatE .586 .523 .25 .146 .166 |
|
WatG .5 .313 .434 .150 .130 |
|
WatG' .5 .313 .434 .150 .130 |
|
WatJ 0 .075 -.024 .314 .182 |
|
SiT1 .299 .073 .035 .8444 .050 |
|
AlT1 .299 .073 .035 .1542 .050 |
|
FeT1 .299 .073 .035 .0006 .050 |
|
SiT2 .308 .306 .038 .8444 .050 |
|
AlT2 .308 .306 .038 .1542 .050 |
|
FeT2 .308 .306 .038 .0006 .050 |
|
SiT3 .088 .387 .25 .8444 .050 |
|
AlT3 .088 .387 .25 .1542 .050 |
|
FeT3 .088 .387 .25 .0006 .050 |
|
SiT4 .087 .227 .25 .8444 .050 |
|
AlT4 .087 .227 .25 .1542 .050 |
|
FeT4 .087 .227 .25 .0006 .050 |
|
O1 .124 .414 .436 .068 |
|
O2 .118 .191 .428 .068 |
|
O3 .236 .125 .980 .068 |
|
O4 .086 .306 .25 .068 |
|
O5 .159 .191 .75 .068 |
|
O6 .177 .417 .75 .068 |
|
O7 .233 .5 .5 .068 |
|
O8 .25 .25 .5 .068 |
|
O9 0 .409 .25 .068 |
|
O10 0 .205 .25 .068 |
|
|
| 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 |
|
WatA 0 .5 0 .88 .123 |
|
WatB 0 .559 .125 .104 .090 |
|
WatC' .410 .179 .25 .107 .107 |
|
WatD' .5 .288 .350 .133 .142 |
|
SiT1 .303 .073 .038 .8444 .058 |
|
AlT1 .303 .073 .038 .1542 .058 |
|
FeT1 .303 .073 .038 .0006 .058 |
|
SiT2 .308 .309 .039 .8444 .058 |
|
AlT2 .308 .309 .039 .1542 .058 |
|
FeT2 .308 .309 .039 .0006 .058 |
|
SiT3 .089 .387 .25 .8444 .058 |
|
AlT3 .089 .387 .25 .1542 .058 |
|
FeT3 .089 .387 .25 .0006 .058 |
|
SiT4 .084 .227 .25 .8444 .058 |
|
AlT4 .084 .227 .25 .1542 .058 |
|
FeT4 .084 .227 .25 .0006 .058 |
|
O1 .119 .413 .442 .079 |
|
O2 .120 .197 .429 .079 |
|
O3 .234 .121 .993 .079 |
|
O4 .085 .306 .25 .079 |
|
O5 .158 .197 .75 .079 |
|
O6 .167 .421 .75 .079 |
|
O7 .230 .5 .5 .079 |
|
O8 .25 .25 .5 .079 |
|
O9 0 .411 .25 .079 |
|
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
|
| |
|
Brewsterite-Sr |
|
Alberti A, Sacerdoti M, Quartieri S, Vezzalini G |
| |
Physics and Chemistry of Minerals 26 (1999) 181-186 |
|
Heating-induced phase transformation in zeolite brewsterite: |
|
new 4- and 5-coordinated (Si,Al) sites |
|
Sample: BR280R |
|
_database_code_amcsd 0008168 |
|
6.676 16.547 7.543 90 94.41 90 P2_1/m |
|
atom x y z occ Uiso |
|
Sr1 .570 1/4 .066 .338 .127 |
|
Sr2 .067 1/4 .568 .236 .098 |
|
Sr3 .833 .132 .083 .118 .27 |
|
Sr4 .055 1/4 .398 .160 .29 |
|
Sr5 .716 1/4 -.054 .064 .10 |
|
SiT1 .318 .0856 .829 .69 .055 |
|
AlT11 .231 .160 .847 .31 .055 |
|
SiT2 .407 .0650 .195 .80 .074 |
|
AlT21 .227 .375 .207 .20 .074 |
|
SiT3 .567 .1602 .540 .75 .074 |
|
AlT3 .567 .1602 .540 .25 .074 |
|
SiT4 .912 .0427 .652 .75 .066 |
|
AlT4 .912 .0427 .652 .25 .066 |
|
O1 .347 .118 .014 .12 |
|
O2 .473 .139 .341 .15 |
|
O3 .769 .115 .591 .17 |
|
O4 .414 .145 .697 .13 |
|
O5 .078 .085 .773 .15 |
|
O6 .199 .019 .236 .13 |
|
O7 .396 .996 .811 .80 .09 |
|
Wat71 .103 1/4 .785 .91 .17 |
|
Wat72 .231 1/4 .186 .67 .06 |
|
O73 -.032 .154 .219 .20 .16 |
|
O8 0 0 1/2 .09 |
|
O9 .633 1/4 .525 .11 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stellerite |
|
Sacerdoti M, Gomedi I |
| |
Bulletin de Mineralogie 107 (1984) 799-804 |
|
Crystal structural refinement of Ca-exchanged barrerite |
|
Note: made from natural barrierite in the lab |
|
Locality: Capo Pula, Sardegna, Italy |
|
_database_code_amcsd 0012083 |
|
13.610 18.214 17.833 90 90 90 Fmmm |
|
atom x y z occ Uiso |
|
Ca .5 0 .2908 .92 .054 |
|
Si1 .3861 .3071 .3768 .764 .019 |
|
Al1 .3861 .3071 .3768 .236 .019 |
|
Si3 .3018 .4113 .5 .764 .019 |
|
Al3 .3018 .4113 .5 .236 .019 |
|
Si4 .3886 .1832 .5 .764 .017 |
|
Al4 .3886 .1832 .5 .236 .017 |
|
Si5 .25 .25 .25 .764 .022 |
|
Al5 .25 .25 .25 .236 .022 |
|
O1 .3181 .3036 .3008 .039 |
|
O3 .3714 .2319 .4253 .038 |
|
O4 .3569 .3803 .4240 .041 |
|
O7 .5 .3154 .3483 .034 |
|
O8 .3145 .1129 .5 .036 |
|
O9 .3059 .5 .5 .037 |
|
O10 .5 .1501 .5 .031 |
|
Wat1 .3722 .0884 .3129 .54 .241 |
|
Wat2 .5 .1279 .2367 .92 .127 |
|
Wat3 .4542 0 .4230 .57 .117 |
|
Wat4 .3673 0 .3781 .26 .102 |
|
Wat5 .4233 .5 .3336 .32 .065 |
|
Wat6 .3655 .5 .3101 .56 .126 |
|
Wat7 .3052 .0546 .2859 .31 .188 |
|
Wat8 .5 .5 .3463 .39 .083 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Barrerite |
|
Sacerdoti M, Sani A, Vezzalini G |
| |
Microporous and Mesoporous Materials 30 (1999) 103-109 |
|
Structural refinement of two barrerites from Alaska |
|
Note: sample 1 |
|
Locality: Kuiu Island, Alaska, USA |
|
_database_code_amcsd 0014404 |
|
13.598 18.177 17.790 90 90 90 Amma |
|
atom x y z occ Uiso |
|
NaC1 .25 0 .0439 .52 .088 |
|
CaC1p .25 0 .4569 .56 .054 |
|
NaC2 .033 .064 .034 .30 .167 |
|
KC2p .077 .072 .447 .216 .161 |
|
NaC2p .077 .072 .447 .124 .161 |
|
NaC3 .162 0 .246 .13 .085 |
|
SiT1 .13546 .30410 .12498 .7792 .0134 |
|
AlT1 .13546 .30410 .12498 .2208 .0134 |
|
SiT1p .13613 .31174 .37241 .7792 .0142 |
|
AlT1p .13613 .31174 .37241 .2208 .0142 |
|
SiT3 .05102 .41097 .24369 .7792 .0140 |
|
AlT3 .05102 .41097 .24369 .2208 .0140 |
|
SiT4 .13870 .18434 .25369 .7792 .0127 |
|
AlT4 .13870 .18434 .25369 .2208 .0127 |
|
SiT5 0 .24037 0 .7792 .0166 |
|
AlT5 0 .24037 0 .2208 .0166 |
|
O1 .0706 .2950 .0488 .033 |
|
O1p .0648 .3136 .4469 .0300 |
|
O3 .1202 .2330 .1793 .033 |
|
O3p .1245 .2331 .3292 .0277 |
|
O4 .1036 .3801 .1666 .033 |
|
O4p .1085 .3807 .3181 .034 |
|
O7 .25 .3113 .0984 .030 |
|
O7p .25 .3224 .4011 .025 |
|
O8 .0658 .1139 .2546 .028 |
|
O9 .0549 .5 .2431 .031 |
|
O10 .25 .1506 .2521 .0228 |
|
Wat1 .222 .123 .058 .51 .078 |
|
Wat1p .167 .108 .444 .28 .102 |
|
Wat2p .25 .127 .448 .58 .076 |
|
Wat3 .192 0 .176 .29 .091 |
|
Wat3p .229 0 .327 .24 .038 |
|
Wat4 .123 0 .117 .56 .296 |
|
Wat4p .178 0 .323 .42 .132 |
|
Wat5 .178 .5 .078 .28 .042 |
|
Wat5p .211 .5 .405 .19 .060 |
|
Wat6 .107 .5 .066 .46 .076 |
|
Wat6p .122 .5 .443 .48 .107 |
|
Wat8 .25 .5 .098 .40 .068 |
|
Wat8p .25 .5 .357 .61 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Barrerite |
|
Sacerdoti M, Sani A, Vezzalini G |
| |
Microporous and Mesoporous Materials 30 (1999) 103-109 |
|
Structural refinement of two barrerites from Alaska |
|
Note: sample 3 |
|
Locality: Kuiu Island, Alaska, USA |
|
_database_code_amcsd 0014405 |
|
13.586 18.184 17.812 90 90 90 Amma |
|
atom x y z occ Uiso |
|
NaC1 .25 0 .0475 .23 .035 |
|
CaC1p .25 0 .4564 .97 .053 |
|
NaC2 .035 .068 .035 .12 .053 |
|
KC2p .103 .089 .444 .42 .160 |
|
NaC2p .103 .089 .444 .42 .160 |
|
NaC3 .155 0 .250 .20 .132 |
|
SiT1 .13522 .30239 .12446 .7792 .0112 |
|
AlT1 .13522 .30239 .12446 .2208 .0112 |
|
SiT1p .13671 .31363 .37182 .7792 .0117 |
|
AlT1p .13671 .31363 .37182 .2208 .0117 |
|
SiT3 .05197 .41066 .24084 .7792 .0123 |
|
AlT3 .05197 .41066 .24084 .2208 .0123 |
|
SiT4 .13828 .18534 .25519 .7792 .0112 |
|
AlT4 .13828 .18534 .25519 .2208 .0112 |
|
SiT5 0 .23602 0 .7792 .0137 |
|
AlT5 0 .23602 0 .2208 .0137 |
|
O1 .0734 .2907 .0481 .0289 |
|
O1p .0648 .3189 .4444 .0253 |
|
O3 .1174 .2348 .1815 .0329 |
|
O3p .1257 .2333 .3317 .0247 |
|
O4 .1027 .3799 .1624 .0305 |
|
O4p .1122 .3807 .3151 .0305 |
|
O7 .25 .3076 .0996 .0352 |
|
O7p .25 .3245 .4019 .0230 |
|
O8 .0658 .1151 .2570 .0295 |
|
O9 .0564 .5 .2387 .0306 |
|
O10 .25 .1520 .2523 .0259 |
|
Wat1 .206 .118 .061 .18 .044 |
|
Wat1p .192 .118 .446 .22 .051 |
|
Wat2 .25 .1255 .0587 .63 .074 |
|
Wat2p .25 .132 .448 .30 .052 |
|
Wat3 .190 0 .177 .28 .078 |
|
Wat3p .25 0 .325 .32 .041 |
|
Wat4 .123 0 .135 .52 .158 |
|
Wat4p .195 0 .325 .34 .054 |
|
Wat5 .178 .5 .077 .28 .055 |
|
Wat5p .178 .5 .413 .10 .052 |
|
Wat6 .102 .5 .066 .71 .112 |
|
Wat6p .108 .5 .453 .92 .166 |
|
Wat8 .25 .5 .086 .12 .048 |
|
Wat8p .25 .5 .3526 .10 .0184 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Asbecasite |
|
Sacerdoti M, Parodi G C, Mottana A, Maras A, Ventura G D |
 |
Mineralogical Magazine 57 (1993) 315-322 |
|
Asbecasite: crystal structure refinement and crystal chemistry |
|
_database_code_amcsd 0014499 |
|
8.318 8.318 15.264 90 90 120 P-3c1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .5921 .5921 .75 .0083 .0076 .0076 .0095 .0036 -.0005 .0005 |
|
As .0187 .2950 .1027 .0089 .0078 .0073 .0100 .0026 -.0006 .0001 |
|
Ti 0 0 .25 .0072 .0061 .0061 .0094 .0031 0 0 |
|
Si 2/3 1/3 .0729 .0085 .0079 .0079 .0096 .0039 0 0 |
|
Be 1/3 2/3 .1309 .0091 .0069 .0069 .0135 .0034 0 0 |
|
O1 .8933 .7785 .1754 .0117 .0107 .0103 .0149 .0058 -.0026 -.0024 |
|
O2 .5362 .7217 .1743 .0099 .0089 .0110 .0114 .0061 -.0019 -.0029 |
|
O3 .5980 .4693 .1161 .0126 .0117 .0074 .0183 .0044 .0019 -.0012 |
|
O4 1/3 2/3 .0297 .0174 .0210 .0210 .0102 .0105 0 0 |
|
|
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|
| |
|
Hydrocalumite |
|
Sacerdoti M, Passaglia E |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 462-475 |
|
Hydrocalumite from Latium, Italy: its crystal structure and relationship |
|
with related synthetic phases |
|
Locality: Montalto di Castro, Viterbo, Latium, Italy |
|
_database_code_amcsd 0014831 |
|
10.020 11.501 16.286 90 104.22 90 P2/c |
|
atom x y z occ Uiso |
|
Ca1 .099 .122 .039 .014 |
|
Ca2 .097 .626 .032 .014 |
|
Ca3 .599 .376 .040 .013 |
|
Ca4 .597 .874 .033 .014 |
|
Al1 .25 .374 .002 .011 |
|
Al2 .25 .875 -.003 .011 |
|
OH11 .101 -.032 -.064 .014 |
|
OH12 .100 .461 -.062 .019 |
|
OH13 .602 .218 -.060 .017 |
|
OH14 .599 .714 -.066 .015 |
|
OH21 .125 .325 .068 .014 |
|
OH22 .120 .828 .060 .017 |
|
OH23 .623 .579 .064 .014 |
|
OH24 .622 .075 .066 .018 |
|
OH31 .305 .013 .065 .017 |
|
OH32 .303 .515 .061 .017 |
|
OH33 .804 .263 .066 .017 |
|
OH34 .802 .766 .060 .016 |
|
Wat11 .153 .101 .194 .033 |
|
Wat12 .171 .639 .192 .035 |
|
Wat13 .658 .385 .195 .038 |
|
Wat14 .659 .861 .190 .038 |
|
C1 .5 .121 .25 .032 |
|
O51 .5 .007 .25 .042 |
|
O61 .608 .174 .246 .051 |
|
Cl2 .5 .609 .25 .042 |
|
Wat3 0 .257 .25 .051 |
|
Wat2 0 .492 .25 .6 .028 |
|
Cl4 0 .870 .25 .048 |
|
|
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|
| |
|
Hydrocalumite |
|
Sacerdoti M, Passaglia E |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 462-475 |
|
Hydrocalumite from Latium, Italy: its crystal structure and relationship |
|
with related synthetic phases |
|
Note: this is the structure of the subcell, not the true cell |
|
Locality: Montalto di Castro, Viterbo, Latium, Italy |
|
_database_code_amcsd 0014832 |
|
10.020 5.751 16.286 90 104.22 90 C2/c |
|
atom x y z occ Uiso |
|
Ca .0980 .2492 .0361 .0145 |
|
Al .25 .75 0 .0112 |
|
O1 .0997 -.0698 -.0631 .0140 |
|
H1 .092 -.052 -.117 .014 |
|
O2 .1228 .6529 .0638 .0157 |
|
H2 .131 .705 .120 0 |
|
O3 .3031 .0286 .0630 .0141 |
|
H3 .363 .016 .118 .0114 |
|
O4 .1614 .2425 .1917 .0512 |
|
H41 .145 .358 .217 .5 .051 |
|
H42 .144 .143 .210 .5 .051 |
|
H43 .235 .265 .206 .5 .051 |
|
H44 .103 .288 .215 .5 .051 |
|
O5 .5 .0170 .25 .55 .0487 |
|
O6 .6086 .3512 .2484 .36 .0737 |
|
Wat7 .5 .4909 .25 .23 .042 |
|
C .5 .2264 .25 .36 .0393 |
|
Cl .5 .2264 .25 .48 .0393 |
|
|
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|
| |
|
Levyne-Ca |
|
Sacerdoti M |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1996 (1996) 114-124 |
|
New refinements of the crystal structure of levyne using twinned crystals |
|
Locality: Iki Island, Nagasaki Prefecture, Japan |
|
Sample: 10 |
|
_database_code_amcsd 0014884 |
|
13.386 13.386 22.5910 90 90 120 R-3m |
|
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 0 0 .1422 .79 .0272 .0270 .0270 .0276 .0135 0 0 |
|
K4 0 0 .4303 .11 .081 |
|
Na3 0 0 .4046 .30 .090 |
|
Na5 0 0 .4878 .18 .041 |
|
AlT1 .0002 .2307 .0706 .3476 .0119 .0103 .0118 .0118 .0042 -.0008 -.0018 |
|
SiT1 .0002 .2307 .0706 .6524 .0119 .0103 .0118 .0118 .0042 -.0008 -.0018 |
|
AlT2 .2385 0 .5 .3476 .0103 .0095 .0093 .0121 .0046 .0007 .0014 |
|
SiT2 .2385 0 .5 .6524 .0103 .0095 .0093 .0121 .0046 .0007 .0014 |
|
O1 .0358 .3511 .1074 .0260 .0337 .0224 .0214 .0136 -.0065 -.0093 |
|
O2 .0914 .1828 .0853 .0231 .0190 .0270 .0260 .0135 .0012 .0025 |
|
O3 .1287 .2574 -.0931 .0238 .0200 .0336 .0223 .0168 .0032 .0065 |
|
O4 .2606 0 0 .0248 .0290 .0310 .0149 .0155 -.0007 -.0014 |
|
O5 .2219 .4437 .1793 .0283 .0191 .0399 .0327 .0200 -.0020 -.0039 |
|
Wat1 .1537 .0768 .2146 .064 |
|
Wat2 .1303 .2607 .2638 .52 .093 |
|
Wat3 .1650 .0825 .3363 .41 .103 |
|
Wat6 .1508 .3016 .3597 .32 .124 |
|
Wat7 .1407 .1648 .3233 .17 .116 |
|
|
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|
| |
|
Levyne-Ca |
|
Sacerdoti M |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1996 (1996) 114-124 |
|
New refinements of the crystal structure of levyne using twinned crystals |
|
Locality: Dunseverick, Atrum, Northern Ireland |
|
Sample: 22 |
|
_database_code_amcsd 0014885 |
|
13.409 13.409 22.6429 90 90 120 R-3m |
|
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 0 0 .1415 .83 .0262 .0271 .0271 .0244 .0135 0 0 |
|
Na3 0 0 .4195 .52 .104 |
|
Na5 0 0 .5 .32 .065 |
|
AlT1 .0005 .2306 .0706 .3482 .0118 .0106 .0122 .0114 .0049 -.0010 -.0015 |
|
SiT1 .0005 .2306 .0706 .6518 .0118 .0106 .0122 .0114 .0049 -.0010 -.0015 |
|
AlT2 .2388 0 .5 .3482 .0093 .0075 .0084 .0124 .0042 .0008 .0017 |
|
SiT2 .2388 0 .5 .6518 .0093 .0075 .0084 .0124 .0042 .0008 .0017 |
|
O1 .0355 .3507 .1071 .0234 .0318 .0182 .0212 .0133 -.0045 -.0064 |
|
O2 .0912 .1825 .0848 .0246 .0253 .0298 .0202 .0149 -.0001 -.0003 |
|
O3 .1289 .2578 -.0928 .0238 .0171 .0397 .0222 .0198 .0019 .0038 |
|
O4 .2592 0 0 .0246 .0249 .0335 .0182 .0168 .0007 .0015 |
|
O5 .2217 .4435 .1798 .0259 .0194 .0360 .0279 .0180 -.0016 -.0032 |
|
Wat1 .1528 .0764 .2134 .059 |
|
Wat2 .1321 .2642 .2685 .55 .085 |
|
Wat3 .1692 .0846 .3350 .36 .078 |
|
Wat6 .1521 .3041 .3583 .34 .109 |
|
Wat7 .145 .1617 .3193 .24 .158 |
|
|
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|
| |
|
Levyne-Ca |
|
Sacerdoti M |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1996 (1996) 114-124 |
|
New refinements of the crystal structure of levyne using twinned crystals |
|
Locality: Hvalfiordur, Iceland |
|
Sample: 12 |
|
_database_code_amcsd 0014886 |
|
13.372 13.372 22.640 90 90 120 R-3m |
|
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 0 0 .1419 .82 .0250 .0262 .0262 .0226 .0131 0 0 |
|
K4 0 0 .4449 .07 .068 |
|
Na2 0 0 .2845 .30 .051 |
|
Na3 0 0 .3954 .30 .098 |
|
Na5 0 0 .5 .80 .054 |
|
AlT1 .0001 .2309 .0703 .3327 .0138 .0122 .0131 .0133 .0042 -.0003 -.0021 |
|
SiT1 .0001 .2309 .0703 .6673 .0138 .0122 .0131 .0133 .0042 -.0003 -.0021 |
|
AlT2 .2387 0 .5 .3327 .0122 .0106 .0109 .0153 .0054 .0010 .0019 |
|
SiT2 .2387 0 .5 .6673 .0122 .0106 .0109 .0153 .0054 .0010 .0019 |
|
O1 .0365 .3499 .1079 .0306 .0398 .0234 .0249 .0130 -.0078 -.0098 |
|
O2 .0904 .1807 .0847 .0266 .0224 .0322 .0283 .0161 -.0009 -.0018 |
|
O3 .1285 .2569 -.0922 .0288 .0240 .0408 .0271 .0204 .0041 .0083 |
|
O4 .2615 0 0 .0289 .0348 .0352 .0167 .0176 -.0002 -.0005 |
|
O5 .2231 .4463 .1797 .0298 .0193 .0363 .0393 .0182 -.0007 -.0014 |
|
Wat1 .1530 .0765 .2122 .070 |
|
Wat2 .1218 .2436 .2915 .43 .117 |
|
Wat3 .1642 .0821 .3434 .38 .136 |
|
Wat4 .2088 .4175 .293 .22 .077 |
|
Wat5 .1491 .1224 .2128 .16 .043 |
|
|
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|
| |
|
Gmelinite-Ca |
| |
Sacerdoti M, Passaglia E, Carnevali R |
| |
Zeolites 15 (1995) 276-281 |
|
Structural refinements of Na-, K-, and Ca-exchanged gmelinites |
|
Note: sample 3Ca |
|
_database_code_amcsd 0015870 |
|
13.807 13.807 9.792 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso |
|
Ca1 .3333 .6667 .090 .53 .039 |
|
Ca2 .1057 .211 .051 .12 .08 |
|
Si .4428 .1085 .0882 .6965 .0134 |
|
Al .4428 .1085 .0882 .3035 .0134 |
|
O1 .425 .2126 .043 .041 |
|
O2 .854 .4268 .045 .035 |
|
O3 .4211 .0795 .25 .035 |
|
O4 .3547 0 0 .032 |
|
Wat1 .181 .556 .25 .50 .08 |
|
Wat2 .1623 .325 .25 .40 .08 |
|
Wat6 0 0 .04 .24 .10 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gmelinite-Na |
|
Sacerdoti M, Passaglia E, Carnevali R |
| |
Zeolites 15 (1995) 276-281 |
|
Structural refinements of Na-, K-, and Ca-exchanged gmelinites |
|
Note: sample 1Na |
|
_database_code_amcsd 0015871 |
|
13.766 13.766 10.076 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso |
|
Na1 .3333 .6667 .0727 .041 |
|
Na2 .1204 .241 .071 .34 .086 |
|
Si .4412 .1058 .0942 .6789 .0113 |
|
Al .4412 .1058 .0942 .3211 .0113 |
|
O1 .4171 .2086 .0598 .029 |
|
O2 .8505 .4253 .0607 .025 |
|
O3 .4110 .0658 .25 .027 |
|
O4 .3557 0 0 .027 |
|
Wat1 .1965 .549 .25 .5 .055 |
|
Wat2 .1697 .339 .25 .68 .088 |
|
Wat3 .163 .0815 .117 .36 .069 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gmelinite-K |
| |
Sacerdoti M, Passaglia E, Carnevali R |
| |
Zeolites 15 (1995) 276-281 |
|
Structural refinements of Na-, K-, and Ca-exchanged gmelinites |
|
Note: sample 2K |
|
_database_code_amcsd 0015872 |
|
13.687 13.687 10.256 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso |
|
K1 .3333 .6667 .0660 .0281 |
|
K2 .1013 .203 .077 .31 .129 |
|
Si .4340 .0999 .0988 .6933 .0100 |
|
Al .4340 .0999 .0988 .3067 .0100 |
|
O1 .4279 .2139 .0653 .027 |
|
O2 .8707 .4354 .0726 .021 |
|
O3 .3949 .0564 .25 .024 |
|
O4 .3453 0 0 .021 |
|
Wat1 .162 .550 .25 .50 .077 |
|
Wat2 .1787 .357 .25 .34 .071 |
|
Wat4 .169 .0847 .25 .40 .082 |
|
Wat5 .1371 .274 .175 .20 .064 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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