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Phlogopite |
 |
Hawthorne F C, Teertstra D K, Cerny P |
 |
American Mineralogist 84 (1999) 778-781 |
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Crystal-structure refinement of a rubidian cesian phlogopite |
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_database_code_amcsd 0002225 |
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5.343 9.247 10.397 90 100.04 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 0 .462 .0185 .0268 .0297 0 .0056 0 |
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Rb 0 .5 0 .275 .0185 .0268 .0297 0 .0056 0 |
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Cs 0 .5 0 .233 .0185 .0268 .0297 0 .0056 0 |
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Mg1 0 0 .5 .48 .0021 .0074 .0192 0 .0049 0 |
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Fe1 0 0 .5 .40 .0021 .0074 .0192 0 .0049 0 |
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Li1 0 0 .5 .12 .0021 .0074 .0192 0 .0049 0 |
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Al2 0 .3331 .5 .19 .0023 .0117 .0192 0 .0035 0 |
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Ti2 0 .3331 .5 .02 .0023 .0117 .0192 0 .0035 0 |
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Mg2 0 .3331 .5 .38 .0023 .0117 .0192 0 .0035 0 |
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Fe2 0 .3331 .5 .32 .0023 .0117 .0192 0 .0035 0 |
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Li2 0 .3331 .5 .09 .0023 .0117 .0192 0 .0035 0 |
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Si .0785 .1668 .2328 .73 .0037 .0112 .0188 .0001 .0023 .0003 |
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Al .0785 .1668 .2328 .27 .0037 .0112 .0188 .0001 .0023 .0003 |
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H .117 .5 .306 .010 |
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O1 .0419 0 .1765 .0204 .0185 .0267 0 .0031 0 |
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O2 .3171 .2411 .1748 .0167 .0324 .0267 -.0070 .0065 .0018 |
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O3 .1335 .1684 .3939 .0137 .0192 .0219 .0005 .0025 -.0008 |
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O4 .1288 .5 .4009 .0079 .0308 .0225 0 .0007 0 |
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| |
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Marialite |
|
Sokolova E V, Kabalov Y K, Sherriff B L, Teertstra D K |
|
Jenkins D M, Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 34 (1996) 1039-1050 |
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Marialite: Rietveld structure-refinement and Si MAS |
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and Al satellite transition NMR spectroscopy |
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Sample: syn-mar |
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_database_code_amcsd 0005510 |
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12.0396 12.0396 7.5427 90 90 90 I4/m |
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atom x y z occ Biso |
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NaM .3741 .2997 .5 4.5 |
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SiT1 .3386 .4107 0 .75 1.05 |
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AlT1 .3386 .4107 0 .25 1.05 |
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SiT2 .6611 .9154 .7936 .75 1.45 |
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AlT2 .6611 .9154 .7936 .25 1.45 |
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O1 .4564 .3522 0 1.5 |
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O2 .6909 .8823 0 1.5 |
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O3 .3538 .9488 .7845 2.0 |
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O4 .2691 .3729 .8250 2.0 |
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Cl .5 .5 .5 .98 3.8 |
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| |
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Marialite |
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Sokolova E V, Kabalov Y K, Sherriff B L, Teertstra D K |
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Jenkins D M, Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 34 (1996) 1039-1050 |
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Marialite: Rietveld structure-refinement and Si MAS |
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and Al satellite transition NMR spectroscopy |
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Sample: PAM-1 |
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_database_code_amcsd 0005511 |
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12.047 12.047 7.5602 90 90 90 I4/m |
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atom x y z occ Biso |
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NaM .3751 .2981 .5 .88 3.63 |
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KM .3751 .2981 .5 .07 3.63 |
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CaM .3751 .2981 .5 .05 3.63 |
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SiT1 .3373 .4109 0 .74 .71 |
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AlT1 .3373 .4109 0 .26 .71 |
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SiT2 .6611 .9151 .7939 .74 .53 |
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AlT2 .6611 .9151 .7939 .26 .53 |
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O1 .4533 .3524 0 1.8 |
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O2 .6941 .8801 0 1.7 |
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O3 .3518 .9485 .7892 1.4 |
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O4 .2718 .3726 .8216 1.5 |
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Cl .5 .5 .5 4.7 |
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| |
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Marialite |
|
Sokolova E V, Kabalov Y K, Sherriff B L, Teertstra D K |
|
Jenkins D M, Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 34 (1996) 1039-1050 |
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Marialite: Rietveld structure-refinement and Si MAS |
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and Al satellite transition NMR spectroscopy |
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Sample: PAM-2 |
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_database_code_amcsd 0005512 |
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12.0489 12.0489 7.5665 90 90 90 I4/m |
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atom x y z occ Biso |
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NaM .3725 .300 .5 .86 4.4 |
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KM .3725 .300 .5 .07 4.4 |
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CaM .3725 .300 .5 .07 4.4 |
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SiT1 .3408 .4114 0 .73 1.8 |
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AlT1 .3408 .4114 0 .27 1.8 |
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SiT2 .6621 .9140 .7936 .73 1.2 |
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AlT2 .6621 .9140 .7936 .27 1.2 |
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O1 .457 .354 0 2.5 |
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O2 .694 .882 0 1.4 |
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O3 .3493 .9501 .784 2.4 |
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O4 .2704 .3741 .826 2.4 |
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Cl .5 .5 .5 .95 7.2 |
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OH .5 .5 .5 .05 7.2 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Marialite |
|
Sokolova E V, Kabalov Y K, Sherriff B L, Teertstra D K |
|
Jenkins D M, Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 34 (1996) 1039-1050 |
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Marialite: Rietveld structure-refinement and Si MAS |
|
and Al satellite transition NMR spectroscopy |
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Sample: PAM-3 |
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_database_code_amcsd 0005513 |
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12.0546 12.0546 7.5684 90 90 90 I4/m |
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atom x y z occ Biso |
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NaM .3729 .296 .5 .88 3.5 |
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KM .3729 .296 .5 .04 3.5 |
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CaM .3729 .296 .5 .07 3.5 |
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SiT1 .3372 .4117 0 .73 .9 |
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AlT1 .3372 .4117 0 .27 .9 |
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SiT2 .6611 .9147 .7933 .73 .74 |
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AlT2 .6611 .9147 .7933 .27 .74 |
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O1 .454 .355 0 1.1 |
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O2 .692 .881 0 .9 |
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O3 .3504 .950 .786 1.6 |
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O4 .2684 .3726 .825 1.5 |
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Cl .5 .5 .5 .96 4.9 |
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OH .5 .5 .5 .04 4.9 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Scapolite |
| |
Sherriff B L, Sokolova E V, Kabalov Y K, Teertstra D K, |
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Kunath-Fandrei G, Goetz S, Jager C |
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The Canadian Mineralogist 36 (1998) 1267-1283 |
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Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy |
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and Rietveld structure-refinement |
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Sample: PAM-4 |
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_database_code_amcsd 0005572 |
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12.0415 12.0415 7.5809 90 90 90 I4/m |
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atom x y z occ Biso |
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NaM .3688 .2903 .5 .78 3.1 |
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KM .3688 .2903 .5 .01 3.1 |
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CaM .3688 .2903 .5 .21 3.1 |
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SiT1 .3394 .4097 0 1.1 |
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SiT2 .6616 .9113 .7941 .54 1.87 |
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AlT2 .6616 .9113 .7941 .46 1.87 |
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SA .5 .5 .5 .03 6.1 |
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ClA .5 .5 .5 .84 6.1 |
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O1 .4572 .3520 0 1.6 |
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O2 .6914 .8780 0 1.7 |
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O3 .3497 .9490 .7831 1.8 |
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O4 .2725 .3708 .8241 2.0 |
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O10 .600 .518 .606 .03 3.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Scapolite |
| |
Sherriff B L, Sokolova E V, Kabalov Y K, Teertstra D K, |
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Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 36 (1998) 1267-1283 |
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Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld |
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structure-refinement |
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Sample: PAM-22 |
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_database_code_amcsd 0005573 |
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12.0416 12.0416 7.5810 90 90 90 *P4_2/n |
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-.25 -.25 -.25 |
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atom x y z occ Biso |
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NaM .5404 .6191 .752 .73 1.2 |
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KM .5404 .6191 .752 .04 1.2 |
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CaM .5404 .6191 .752 .23 1.2 |
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SiT1 .6598 .5899 .250 1.2 |
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SiT2 .165 .912 .044 .54 1.6 |
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AlT2 .165 .912 .044 .46 1.6 |
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SiT3 .089 .664 .957 .54 2.1 |
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AlT3 .089 .664 .957 .46 2.1 |
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ClA .25 .25 .25 .82 6.6 |
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SA .25 .25 .25 .18 6.6 |
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O1 .6017 .7072 .255 1.8 |
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O2 .1280 .9417 .249 1.9 |
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O3 .199 .597 .030 2.0 |
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O4 .102 .802 .963 1.7 |
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O5 .621 .525 .071 1.7 |
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O6 .980 .620 .076 2.6 |
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O10 .268 .350 .356 .18 3.5 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Scapolite |
| |
Sherriff B L, Sokolova E V, Kabalov Y K, Teertstra D K, |
|
Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 36 (1998) 1267-1283 |
|
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld |
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structure-refinement |
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Sample: TANZ |
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_database_code_amcsd 0005574 |
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12.0642 12.0642 7.5796 90 90 90 *P4_2/n |
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-.25 -.25 -.25 |
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atom x y z occ Biso |
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NaM .5397 .6183 .741 .66 4.0 |
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KM .5397 .6183 .741 .06 4.0 |
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CaM .5397 .6183 .741 .28 4.0 |
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SiT1 .6598 .5904 .248 1.83 |
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SiT2 .164 .913 .040 .52 1.9 |
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AlT2 .164 .913 .040 .48 1.9 |
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SiT3 .088 .665 .955 .52 1.7 |
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AlT3 .088 .665 .955 .48 1.7 |
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ClA .25 .25 .25 .70 6.4 |
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SA .25 .25 .25 .10 6.4 |
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CA .25 .25 .25 .12 6.4 |
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O1 .6023 .7062 .254 2.0 |
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O2 .1264 .943 .255 2.6 |
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O3 .194 .607 .039 2.2 |
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O4 .097 .797 .965 2.1 |
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O5 .623 .523 .083 2.0 |
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O6 .977 .624 .069 3.4 |
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O7 .126 .267 .250 .12 3.5 |
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O8 .290 .346 .250 .12 3.5 |
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O9 .276 .164 .250 .12 3.5 |
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O10 .268 .350 .356 .10 3.5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Scapolite |
| |
Sherriff B L, Sokolova E V, Kabalov Y K, Teertstra D K, |
|
Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 36 (1998) 1267-1283 |
|
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld |
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structure-refinement |
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Sample: PAM-5 |
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_database_code_amcsd 0005575 |
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12.0739 12.0739 7.5806 90 90 90 *P4_2/n |
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-.25 -.25 -.25 |
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atom x y z occ Biso |
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NaM .5387 .6163 .745 .60 3.5 |
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KM .5387 .6163 .745 .05 3.5 |
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CaM .5387 .6163 .745 .33 3.5 |
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SiT1 .6605 .5897 .250 1.85 |
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SiT2 .164 .912 .043 .51 1.7 |
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AlT2 .164 .912 .043 .49 1.7 |
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SiT3 .089 .663 .956 .51 1.8 |
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AlT3 .089 .663 .956 .49 1.8 |
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ClA .25 .25 .25 .58 7.0 |
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SA .25 .25 .25 .13 7.0 |
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O1 .6045 .7067 .249 1.8 |
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O2 .1275 .941 .257 2.4 |
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O3 .195 .603 .041 2.3 |
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O4 .097 .797 .964 2.0 |
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O5 .620 .523 .079 1.3 |
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O6 .978 .623 .070 3.1 |
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O10 .268 .350 .356 .13 3.5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Scapolite |
| |
Sherriff B L, Sokolova E V, Kabalov Y K, Teertstra D K, |
|
Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 36 (1998) 1267-1283 |
|
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld |
|
structure-refinement |
|
Sample: MAD |
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_database_code_amcsd 0005576 |
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12.0957 12.0957 7.5730 90 90 90 *P4_2/n |
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-.25 -.25 -.25 |
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atom x y z occ Biso |
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NaM .5353 .6112 .745 .50 2.3 |
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KM .5353 .6112 .745 .02 2.3 |
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CaM .5353 .6112 .745 .46 2.3 |
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SiT1 .6598 .5887 .250 1.2 |
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SiT2 .164 .911 .040 .47 1.9 |
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AlT2 .164 .911 .040 .53 1.9 |
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SiT3 .092 .663 .954 .47 1.7 |
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AlT3 .092 .663 .954 .53 1.7 |
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ClA .25 .25 .25 .47 4.5 |
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SA .25 .25 .25 .09 4.5 |
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CA .25 .25 .25 .24 4.5 |
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O1 .6023 .7058 .248 1.9 |
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O2 .1235 .9388 .240 2.1 |
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O3 .206 .601 .036 1.9 |
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O4 .101 .808 .956 2.7 |
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O5 .624 .523 .070 2.1 |
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O6 .978 .617 .078 2.0 |
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O7 .126 .267 .250 .24 3.5 |
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O8 .290 .346 .250 .24 3.5 |
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O9 .276 .164 .250 .24 3.5 |
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O10 .268 .350 .356 .09 3.5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Scapolite |
| |
Sherriff B L, Sokolova E V, Kabalov Y K, Teertstra D K, |
|
Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 36 (1998) 1267-1283 |
|
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld |
|
structure-refinement |
|
Sample: MIN |
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_database_code_amcsd 0005577 |
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12.1224 12.1224 7.5110 90 90 90 *P4_2/n |
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-.25 -.25 -.25 |
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atom x y z occ Biso |
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NaM .5357 .6111 .745 .38 2.38 |
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KM .5357 .6111 .745 .04 2.38 |
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CaM .5357 .6111 .745 .56 2.38 |
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SiT1 .6601 .5892 .249 1.42 |
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SiT2 .164 .910 .046 .43 2.03 |
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AlT2 .164 .910 .046 .57 2.03 |
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SiT3 .090 .664 .959 .43 1.0 |
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AlT3 .090 .664 .959 .57 1.0 |
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ClA .25 .25 .25 .28 3.2 |
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SA .25 .25 .25 .57 3.2 |
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CA .25 .25 .25 .15 3.2 |
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O1 .6009 .7068 .250 2.1 |
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O2 .1246 .9379 .246 1.1 |
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O3 .207 .599 .044 1.5 |
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O4 .105 .808 .956 2.3 |
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O5 .624 .523 .066 2.5 |
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O6 .982 .617 .080 1.1 |
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O7 .126 .267 .250 .15 3.5 |
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O8 .290 .346 .250 .15 3.5 |
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O9 .276 .164 .250 .15 3.5 |
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O10 .268 .350 .356 .57 3.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Silvialite |
| |
Teertstra D K, Schindler M, Sherriff B L, Hawthorne F C |
|
Mineralogical Magazine 63 (1999) 321-329 |
|
Silvialite, a new sulfate-dominant member of the scapolite group with |
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an Al-Si composition near the I4/m-P42/n phase transition |
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Locality: McBride Province, Australia |
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_database_code_amcsd 0014537 |
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12.160 12.160 7.560 90 90 90 I4/m |
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atom x y z occ Uiso |
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Na .35868 .28328 0 .387 .0218 |
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Ca .35868 .28328 0 .613 .0218 |
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Al1 .16079 .09174 0 .406 .0085 |
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Si1 .16079 .09174 0 .594 .0085 |
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Al2 .16030 .41297 .20683 .406 .0096 |
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Si2 .16030 .41297 .20683 .594 .0096 |
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S .5 .5 0 .522 .0165 |
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C .5 .5 0 .478 .0165 |
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O1 .04213 .1518 0 .0187 |
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O2 .1870 .3730 0 .0174 |
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O3 .4495 .1505 .2068 .0212 |
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O4 .2666 .3655 .6724 .0272 |
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O5 .4008 .4815 .107 .261 .031 |
|
O6 .605 .511 0 .359 .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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