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Stellerite |
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Arletti R, Mazzucato E, Vezzalini G |
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American Mineralogist 91 (2006) 628-634 |
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Influence of dehydration kinetics on T-O-T bridge breaking |
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in zeolites with framework type STI: The case of stellerite |
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Locality: Seremida, Sardinia, Italy |
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Sample: T = 302 K |
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Note: occupancies invented to match formula |
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_database_code_amcsd 0004140 |
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13.5947 18.1823 17.8335 90 90 90 Fmmm |
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atom x y z occ Uiso |
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Ca .5 .0 .2920 .78 .042 |
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Na .5 .0 .2920 .10 .042 |
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K .5 .0 .2920 .01 .042 |
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SiT1 .3847 .3068 .3787 .88 .0337 |
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AlT1 .3847 .3068 .3787 .22 .0337 |
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SiT3 .3034 .4114 .5 .88 .0337 |
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AlT3 .3034 .4114 .5 .22 .0337 |
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SiT4 .3859 .1832 .5 .88 .0337 |
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AlT4 .3859 .1832 .5 .22 .0337 |
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SiT5 .25 .25 .25 .88 .0337 |
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AlT5 .25 .25 .25 .22 .0337 |
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O1 .3151 .3094 .2995 .043 |
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O3 .3716 .2353 .4265 .043 |
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O4 .3548 .3804 .4205 .043 |
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O7 .5 .3164 .3532 .043 |
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O8 .3179 .1121 .5 .043 |
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O9 .311 .5 .5 .043 |
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O10 .5 .148 .5 .043 |
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Wat1 .401 .117 .307 .27 .091 |
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Wat2 .5 .131 .302 .84 .091 |
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Wat3 .460 .0 .419 .46 .091 |
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Wat4 .349 .071 .330 .30 .091 |
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Wat5 .420 .5 .336 .64 .091 |
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Wat7 .315 .053 .246 .27 .091 |
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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 (permalink) |
| |
|
Stellerite |
|
Arletti R, Mazzucato E, Vezzalini G |
|
American Mineralogist 91 (2006) 628-634 |
|
Influence of dehydration kinetics on T-O-T bridge breaking |
|
in zeolites with framework type STI: The case of stellerite |
|
Locality: Seremida, Sardinia, Italy |
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Sample: T = 503 K |
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Note: occupancies invented to match formula |
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_database_code_amcsd 0004141 |
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13.6629 17.6064 17.3629 90 90 90 Amma |
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atom x y z occ Uiso |
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Ca1 .25 .179 .067 .13 .083 |
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Na1 .25 .179 .067 .02 .083 |
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Ca4 .25 .5 .171 .08 .083 |
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Na4 .25 .5 .171 .01 .083 |
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Ca5 .080 .5 .093 .36 .083 |
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Na5 .080 .5 .093 .04 .083 |
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Ca6 .083 0 -.018 .20 .083 |
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Na6 .083 0 -.018 .03 .083 |
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SiT1 .1373 .3340 .1346 .88 .037 |
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AlT1 .1373 .3340 .1346 .22 .037 |
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SiT1P .1369 .2851 .3792 .88 .037 |
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AlT1P .1369 .2851 .3792 .22 .037 |
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SiT3 .0505 .4087 .2819 .88 .037 |
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AlT3 .0505 .4087 .2819 .22 .037 |
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SiT4 .1350 .1882 .2330 .88 .037 |
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AlT4 .1350 .1882 .2330 .22 .037 |
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SiT5 0 .2969 0 .88 .037 |
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AlT5 0 .2969 0 .22 .037 |
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O1 .066 .3577 .0588 .053 |
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O1P .064 .2658 .4557 .053 |
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O3 .127 .2447 .1580 .053 |
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O3P .117 .2164 .3188 .053 |
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O4 .100 .3927 .1956 .053 |
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O4P .117 .3672 .3470 .053 |
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O7 .25 .363 .103 .053 |
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O7P .25 .287 .410 .053 |
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O8 .0738 .1158 .212 .053 |
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O9 .047 .5 .289 .053 |
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O10 .25 .162 .231 .053 |
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Wat1 .25 0 .343 .44 .132 |
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Wat2 .25 .094 .431 .13 .132 |
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Wat3 .25 .5 .410 .83 .132 |
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Wat4 .25 0 .213 .44 .132 |
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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 (permalink) |
| |
|
Stellerite |
|
Arletti R, Mazzucato E, Vezzalini G |
|
American Mineralogist 91 (2006) 628-634 |
|
Influence of dehydration kinetics on T-O-T bridge breaking |
|
in zeolites with framework type STI: The case of stellerite |
|
Locality: Seremida, Sardinia, Italy |
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Sample: T = 740 K |
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Note: occupancies invented to match formula |
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_database_code_amcsd 0004142 |
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13.5426 17.557 17.102 90 90 90 Amma |
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atom x y z occ Uiso |
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Ca1 .25 .243 .051 .40 .044 |
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Na1 .25 .243 .051 .05 .044 |
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Ca4 .25 .5 .187 .34 .044 |
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Na4 .25 .5 .187 .04 .044 |
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SiT1 .138 .334 .137 .55 .063 |
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AlT1 .138 .334 .137 .07 .063 |
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SiT1P .1348 .2745 .3762 .88 .063 |
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AlT1P .1348 .2745 .3762 .22 .063 |
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SiT3 .0551 .4134 .2873 .88 .063 |
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AlT3 .0551 .4134 .2873 .22 .063 |
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SiT4 .1337 .1751 .2243 .88 .063 |
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AlT4 .1337 .1751 .2243 .22 .063 |
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SiT5 0 .3091 0 .88 .063 |
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AlT5 0 .3091 0 .22 .063 |
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SiT1D .141 .4109 .116 .33 .063 |
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AlT1D .141 .4109 .116 .05 .063 |
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O1 .073 .363 .058 .084 |
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O1P .072 .2482 .455 .084 |
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O3 .128 .239 .152 .084 |
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O3P .123 .210 .3107 .084 |
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O4 .118 .396 .206 .084 |
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O4P .110 .3577 .345 .084 |
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O7 .25 .367 .100 .084 |
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O7P .25 .272 .406 .084 |
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O8 .071 .100 .214 .084 |
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O9 .082 .5 .310 .084 |
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O10 .25 .142 .221 .084 |
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OD .139 .5 .097 .76 .084 |
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Wat .25 0 .303 .61 .180 |
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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 (permalink) |
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Stellerite |
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Alberti A, Rinaldi R, Vezzalini G |
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Physics and Chemistry of Minerals 2 (1978) 365-375 |
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Dynamics of dehydration in stilbite-type structures; stellerite phase B |
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Sample: Stellerite phase B |
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_database_code_amcsd 0007338 |
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13.62 17.16 16.68 90 90 90 Amma |
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atom x y z occ Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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SiT1 .1344 .3541 .1373 .779 .0015 .0050 .0035 -.0009 .0001 -.0004 |
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AlT1 .1344 .3541 .1373 .221 .0015 .0050 .0035 -.0009 .0001 -.0004 |
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SiT1P .1390 .2690 .3833 .7011 .0011 .0020 .0024 .0001 -.0002 -.0001 |
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AlT1P .1390 .2690 .3833 .1989 .0011 .0020 .0024 .0001 -.0002 -.0001 |
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SiT3 .0513 .4109 .3045 .779 .0020 .0023 .0039 -.0006 -.0002 .0002 |
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AlT3 .0513 .4109 .3045 .221 .0020 .0023 .0039 -.0006 -.0002 .0002 |
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SiT4 .1394 .1861 .2188 .7011 .0011 .0021 .0024 -.0002 .0001 -.0008 |
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AlT4 .1394 .1861 .2188 .1989 .0011 .0021 .0024 -.0002 .0001 -.0008 |
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SiT5 0 .3222 0 .779 .0018 .0023 .0031 0 .0004 0 |
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AlT5 0 .3222 0 .221 .0018 .0023 .0031 0 .0004 0 |
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SiT1PD .141 .302 .434 .0779 .0007 |
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AlT1PD .141 .302 .434 .0221 .0007 |
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SiT4D .149 .168 .174 .0779 .0002 |
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AlT4D .149 .168 .174 .0221 .0002 |
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O1 .0637 .3769 .0649 .0058 .0045 .0035 0 -.0033 -.0006 |
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O1P .0741 .2343 .4579 .0082 .0073 .0031 -.0028 .0012 .0012 |
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O3 .1284 .2569 .1525 .0054 .0037 .0041 .0009 .0005 .0005 |
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O3P .1226 .2156 .3063 .9 .0063 .0037 .0028 .0024 .0005 -.0015 |
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O4 .1080 .4006 .2173 .0058 .0037 .0029 -.0011 .0003 -.0017 |
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O4P .1030 .3567 .3693 .0064 .0044 .0082 .0028 -.0019 .0036 |
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O7 .25 .3829 .1119 .0076 .0065 .0043 0 0 -.0034 |
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O7P .25 .2675 .4149 .0009 .0085 .0071 0 0 .0014 |
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O8 .0678 .1194 .1998 .0026 .0046 .0086 -.0006 -.0009 .0009 |
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O9 .0519 .5 .3311 .0088 .0016 .0080 0 0 0 |
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O10 .25 .1552 .2063 .0001 .0062 .0094 0 0 -.0037 |
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OH1 .150 .130 .010 .10 .0005 |
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OH2 .160 .130 .080 .10 .0005 |
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CaC1 .25 .252 .050 .26908 .0007 |
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NaC1 .25 .252 .050 .03658 .0007 |
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KC1 .25 .252 .050 .00279 .0007 |
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MgC1 .25 .252 .050 .00155 .0007 |
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CaC2 .216 0 .188 .0868 .0008 |
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NaC2 .216 0 .188 .0118 .0008 |
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KC2 .216 0 .188 .0009 .0008 |
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MgC2 .216 0 .188 .0005 .0008 |
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CaC3 0 0 .5 .1302 .0011 |
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NaC3 0 0 .5 .0177 .0011 |
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KC3 0 0 .5 .00135 .0011 |
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MgC3 0 0 .5 .00075 .0011 |
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CaC4 .25 .5 .211 .54684 .0005 |
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NaC4 .25 .5 .211 .07434 .0005 |
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KC4 .25 .5 .211 .00567 .0005 |
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MgC4 .25 .5 .211 .00315 .0005 |
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Wat1 .25 0 .355 .24 .0003 |
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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 (permalink) |
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Stellerite |
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Sacerdoti M, Gomedi I |
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Bulletin de Mineralogie 107 (1984) 799-804 |
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Crystal structural refinement of Ca-exchanged barrerite |
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Note: made from natural barrierite in the lab |
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Locality: Capo Pula, Sardegna, Italy |
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_database_code_amcsd 0012083 |
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13.610 18.214 17.833 90 90 90 Fmmm |
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atom x y z occ Uiso |
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Ca .5 0 .2908 .92 .054 |
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Si1 .3861 .3071 .3768 .764 .019 |
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Al1 .3861 .3071 .3768 .236 .019 |
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Si3 .3018 .4113 .5 .764 .019 |
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Al3 .3018 .4113 .5 .236 .019 |
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Si4 .3886 .1832 .5 .764 .017 |
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Al4 .3886 .1832 .5 .236 .017 |
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Si5 .25 .25 .25 .764 .022 |
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Al5 .25 .25 .25 .236 .022 |
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O1 .3181 .3036 .3008 .039 |
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O3 .3714 .2319 .4253 .038 |
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O4 .3569 .3803 .4240 .041 |
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O7 .5 .3154 .3483 .034 |
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O8 .3145 .1129 .5 .036 |
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O9 .3059 .5 .5 .037 |
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O10 .5 .1501 .5 .031 |
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Wat1 .3722 .0884 .3129 .54 .241 |
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Wat2 .5 .1279 .2367 .92 .127 |
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Wat3 .4542 0 .4230 .57 .117 |
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Wat4 .3673 0 .3781 .26 .102 |
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Wat5 .4233 .5 .3336 .32 .065 |
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Wat6 .3655 .5 .3101 .56 .126 |
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Wat7 .3052 .0546 .2859 .31 .188 |
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Wat8 .5 .5 .3463 .39 .083 |
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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 (permalink) |
| |
