|
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 |
|
Marialite: Rietveld structure-refinement and Si MAS |
|
and Al satellite transition NMR spectroscopy |
|
Sample: syn-mar |
|
_database_code_amcsd 0005510 |
|
12.0396 12.0396 7.5427 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3741 .2997 .5 4.5 |
|
SiT1 .3386 .4107 0 .75 1.05 |
|
AlT1 .3386 .4107 0 .25 1.05 |
|
SiT2 .6611 .9154 .7936 .75 1.45 |
|
AlT2 .6611 .9154 .7936 .25 1.45 |
|
O1 .4564 .3522 0 1.5 |
|
O2 .6909 .8823 0 1.5 |
|
O3 .3538 .9488 .7845 2.0 |
|
O4 .2691 .3729 .8250 2.0 |
|
Cl .5 .5 .5 .98 3.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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 |
|
Marialite: Rietveld structure-refinement and Si MAS |
|
and Al satellite transition NMR spectroscopy |
|
Sample: PAM-1 |
|
_database_code_amcsd 0005511 |
|
12.047 12.047 7.5602 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3751 .2981 .5 .88 3.63 |
|
KM .3751 .2981 .5 .07 3.63 |
|
CaM .3751 .2981 .5 .05 3.63 |
|
SiT1 .3373 .4109 0 .74 .71 |
|
AlT1 .3373 .4109 0 .26 .71 |
|
SiT2 .6611 .9151 .7939 .74 .53 |
|
AlT2 .6611 .9151 .7939 .26 .53 |
|
O1 .4533 .3524 0 1.8 |
|
O2 .6941 .8801 0 1.7 |
|
O3 .3518 .9485 .7892 1.4 |
|
O4 .2718 .3726 .8216 1.5 |
|
Cl .5 .5 .5 4.7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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 |
|
Marialite: Rietveld structure-refinement and Si MAS |
|
and Al satellite transition NMR spectroscopy |
|
Sample: PAM-2 |
|
_database_code_amcsd 0005512 |
|
12.0489 12.0489 7.5665 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3725 .300 .5 .86 4.4 |
|
KM .3725 .300 .5 .07 4.4 |
|
CaM .3725 .300 .5 .07 4.4 |
|
SiT1 .3408 .4114 0 .73 1.8 |
|
AlT1 .3408 .4114 0 .27 1.8 |
|
SiT2 .6621 .9140 .7936 .73 1.2 |
|
AlT2 .6621 .9140 .7936 .27 1.2 |
|
O1 .457 .354 0 2.5 |
|
O2 .694 .882 0 1.4 |
|
O3 .3493 .9501 .784 2.4 |
|
O4 .2704 .3741 .826 2.4 |
|
Cl .5 .5 .5 .95 7.2 |
|
OH .5 .5 .5 .05 7.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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 |
|
Marialite: Rietveld structure-refinement and Si MAS |
|
and Al satellite transition NMR spectroscopy |
|
Sample: PAM-3 |
|
_database_code_amcsd 0005513 |
|
12.0546 12.0546 7.5684 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3729 .296 .5 .88 3.5 |
|
KM .3729 .296 .5 .04 3.5 |
|
CaM .3729 .296 .5 .07 3.5 |
|
SiT1 .3372 .4117 0 .73 .9 |
|
AlT1 .3372 .4117 0 .27 .9 |
|
SiT2 .6611 .9147 .7933 .73 .74 |
|
AlT2 .6611 .9147 .7933 .27 .74 |
|
O1 .454 .355 0 1.1 |
|
O2 .692 .881 0 .9 |
|
O3 .3504 .950 .786 1.6 |
|
O4 .2684 .3726 .825 1.5 |
|
Cl .5 .5 .5 .96 4.9 |
|
OH .5 .5 .5 .04 4.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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: PAM-4 |
|
_database_code_amcsd 0005572 |
|
12.0415 12.0415 7.5809 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3688 .2903 .5 .78 3.1 |
|
KM .3688 .2903 .5 .01 3.1 |
|
CaM .3688 .2903 .5 .21 3.1 |
|
SiT1 .3394 .4097 0 1.1 |
|
SiT2 .6616 .9113 .7941 .54 1.87 |
|
AlT2 .6616 .9113 .7941 .46 1.87 |
|
SA .5 .5 .5 .03 6.1 |
|
ClA .5 .5 .5 .84 6.1 |
|
O1 .4572 .3520 0 1.6 |
|
O2 .6914 .8780 0 1.7 |
|
O3 .3497 .9490 .7831 1.8 |
|
O4 .2725 .3708 .8241 2.0 |
|
O10 .600 .518 .606 .03 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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: PAM-22 |
|
_database_code_amcsd 0005573 |
|
12.0416 12.0416 7.5810 90 90 90 *P4_2/n |
|
-.25 -.25 -.25 |
|
atom x y z occ Biso |
|
NaM .5404 .6191 .752 .73 1.2 |
|
KM .5404 .6191 .752 .04 1.2 |
|
CaM .5404 .6191 .752 .23 1.2 |
|
SiT1 .6598 .5899 .250 1.2 |
|
SiT2 .165 .912 .044 .54 1.6 |
|
AlT2 .165 .912 .044 .46 1.6 |
|
SiT3 .089 .664 .957 .54 2.1 |
|
AlT3 .089 .664 .957 .46 2.1 |
|
ClA .25 .25 .25 .82 6.6 |
|
SA .25 .25 .25 .18 6.6 |
|
O1 .6017 .7072 .255 1.8 |
|
O2 .1280 .9417 .249 1.9 |
|
O3 .199 .597 .030 2.0 |
|
O4 .102 .802 .963 1.7 |
|
O5 .621 .525 .071 1.7 |
|
O6 .980 .620 .076 2.6 |
|
O10 .268 .350 .356 .18 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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: TANZ |
|
_database_code_amcsd 0005574 |
|
12.0642 12.0642 7.5796 90 90 90 *P4_2/n |
|
-.25 -.25 -.25 |
|
atom x y z occ Biso |
|
NaM .5397 .6183 .741 .66 4.0 |
|
KM .5397 .6183 .741 .06 4.0 |
|
CaM .5397 .6183 .741 .28 4.0 |
|
SiT1 .6598 .5904 .248 1.83 |
|
SiT2 .164 .913 .040 .52 1.9 |
|
AlT2 .164 .913 .040 .48 1.9 |
|
SiT3 .088 .665 .955 .52 1.7 |
|
AlT3 .088 .665 .955 .48 1.7 |
|
ClA .25 .25 .25 .70 6.4 |
|
SA .25 .25 .25 .10 6.4 |
|
CA .25 .25 .25 .12 6.4 |
|
O1 .6023 .7062 .254 2.0 |
|
O2 .1264 .943 .255 2.6 |
|
O3 .194 .607 .039 2.2 |
|
O4 .097 .797 .965 2.1 |
|
O5 .623 .523 .083 2.0 |
|
O6 .977 .624 .069 3.4 |
|
O7 .126 .267 .250 .12 3.5 |
|
O8 .290 .346 .250 .12 3.5 |
|
O9 .276 .164 .250 .12 3.5 |
|
O10 .268 .350 .356 .10 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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: PAM-5 |
|
_database_code_amcsd 0005575 |
|
12.0739 12.0739 7.5806 90 90 90 *P4_2/n |
|
-.25 -.25 -.25 |
|
atom x y z occ Biso |
|
NaM .5387 .6163 .745 .60 3.5 |
|
KM .5387 .6163 .745 .05 3.5 |
|
CaM .5387 .6163 .745 .33 3.5 |
|
SiT1 .6605 .5897 .250 1.85 |
|
SiT2 .164 .912 .043 .51 1.7 |
|
AlT2 .164 .912 .043 .49 1.7 |
|
SiT3 .089 .663 .956 .51 1.8 |
|
AlT3 .089 .663 .956 .49 1.8 |
|
ClA .25 .25 .25 .58 7.0 |
|
SA .25 .25 .25 .13 7.0 |
|
O1 .6045 .7067 .249 1.8 |
|
O2 .1275 .941 .257 2.4 |
|
O3 .195 .603 .041 2.3 |
|
O4 .097 .797 .964 2.0 |
|
O5 .620 .523 .079 1.3 |
|
O6 .978 .623 .070 3.1 |
|
O10 .268 .350 .356 .13 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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 |
|
_database_code_amcsd 0005576 |
|
12.0957 12.0957 7.5730 90 90 90 *P4_2/n |
|
-.25 -.25 -.25 |
|
atom x y z occ Biso |
|
NaM .5353 .6112 .745 .50 2.3 |
|
KM .5353 .6112 .745 .02 2.3 |
|
CaM .5353 .6112 .745 .46 2.3 |
|
SiT1 .6598 .5887 .250 1.2 |
|
SiT2 .164 .911 .040 .47 1.9 |
|
AlT2 .164 .911 .040 .53 1.9 |
|
SiT3 .092 .663 .954 .47 1.7 |
|
AlT3 .092 .663 .954 .53 1.7 |
|
ClA .25 .25 .25 .47 4.5 |
|
SA .25 .25 .25 .09 4.5 |
|
CA .25 .25 .25 .24 4.5 |
|
O1 .6023 .7058 .248 1.9 |
|
O2 .1235 .9388 .240 2.1 |
|
O3 .206 .601 .036 1.9 |
|
O4 .101 .808 .956 2.7 |
|
O5 .624 .523 .070 2.1 |
|
O6 .978 .617 .078 2.0 |
|
O7 .126 .267 .250 .24 3.5 |
|
O8 .290 .346 .250 .24 3.5 |
|
O9 .276 .164 .250 .24 3.5 |
|
O10 .268 .350 .356 .09 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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 |
|
_database_code_amcsd 0005577 |
|
12.1224 12.1224 7.5110 90 90 90 *P4_2/n |
|
-.25 -.25 -.25 |
|
atom x y z occ Biso |
|
NaM .5357 .6111 .745 .38 2.38 |
|
KM .5357 .6111 .745 .04 2.38 |
|
CaM .5357 .6111 .745 .56 2.38 |
|
SiT1 .6601 .5892 .249 1.42 |
|
SiT2 .164 .910 .046 .43 2.03 |
|
AlT2 .164 .910 .046 .57 2.03 |
|
SiT3 .090 .664 .959 .43 1.0 |
|
AlT3 .090 .664 .959 .57 1.0 |
|
ClA .25 .25 .25 .28 3.2 |
|
SA .25 .25 .25 .57 3.2 |
|
CA .25 .25 .25 .15 3.2 |
|
O1 .6009 .7068 .250 2.1 |
|
O2 .1246 .9379 .246 1.1 |
|
O3 .207 .599 .044 1.5 |
|
O4 .105 .808 .956 2.3 |
|
O5 .624 .523 .066 2.5 |
|
O6 .982 .617 .080 1.1 |
|
O7 .126 .267 .250 .15 3.5 |
|
O8 .290 .346 .250 .15 3.5 |
|
O9 .276 .164 .250 .15 3.5 |
|
O10 .268 .350 .356 .57 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Meionite |
|
Sherriff B L, Sokolova E V, Kabalov Y K, Jenkins D M, Kunath-Fandrei G, |
|
Goetz S, Jager C, Schneider J |
|
The Canadian Mineralogist 38 (2000) 1201-1213 |
|
Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR |
|
spectroscopy, and comments on the marialite-meionite series |
|
Note: sample BOLT |
|
Locality: Bolton, Massachusetts, USA |
|
_database_code_amcsd 0005695 |
|
12.1476 12.1476 7.5636 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3589 .2843 .5 .28 2.27 |
|
KM .3589 .2843 .5 .05 2.27 |
|
CaM .3589 .2843 .5 .67 2.27 |
|
SiT1 .3403 .4099 0 .88 1.43 |
|
AlT1 .3403 .4099 0 .12 1.43 |
|
SiT2 .6592 .9132 .7929 .45 1.53 |
|
AlT2 .6592 .9132 .7929 .55 1.53 |
|
O1 .4580 .3502 0 1.6 |
|
O2 .6852 .8744 0 1.5 |
|
O3 .3516 .9522 .7911 2.0 |
|
O4 .2693 .3685 .8239 2.0 |
|
ClA .5 .5 .5 .07 |
|
FA .5 .5 .5 .03 |
|
C .509 .481 .5 .11 3.5 |
|
O7 .517 .376 .5 .11 3.5 |
|
O8 .596 .540 .5 .11 3.5 |
|
O9 .414 .526 .5 .11 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Meionite |
|
Sherriff B L, Sokolova E V, Kabalov Y K, Jenkins D M, Kunath-Fandrei G, |
|
Goetz S, Jager C, Schneider J |
|
The Canadian Mineralogist 38 (2000) 1201-1213 |
|
Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR |
|
spectroscopy, and comments on the marialite-meionite series |
|
Note: sample SL-1 |
|
Locality: Slyudyanka mineral deposit, eastern Siberia, Russia |
|
_database_code_amcsd 0005696 |
|
12.1637 12.1637 7.5739 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3577 .2838 .5 .19 1.89 |
|
KM .3577 .2838 .5 .01 1.89 |
|
CaM .3577 .2838 .5 .78 1.89 |
|
Si1 .3409 .4096 0 .90 1.7 |
|
Al1 .3409 .4096 0 .10 1.7 |
|
Si2 .6581 .9133 .7926 .4 1.7 |
|
Al2 .6581 .9133 .7926 .6 1.7 |
|
O1 .4588 .3500 0 1.7 |
|
O2 .6862 .8756 0 1.5 |
|
O3 .3518 .9526 .7896 2.0 |
|
O4 .2680 .3657 .826 2.7 |
|
ClA .5 .5 .5 .01 |
|
SA .5 .5 .5 .16 |
|
C .509 .481 .5 .08 3.5 |
|
O7 .517 .376 .5 .08 3.5 |
|
O8 .596 .540 .5 .08 3.5 |
|
O9 .414 .526 .5 .08 3.5 |
|
O10 .600 .518 .606 .04 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Meionite |
|
Sherriff B L, Sokolova E V, Kabalov Y K, Jenkins D M, Kunath-Fandrei G, |
|
Goetz S, Jager C, Schneider J |
|
The Canadian Mineralogist 38 (2000) 1201-1213 |
|
Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR |
|
spectroscopy, and comments on the marialite-meionite series |
|
Note: sample MONT |
|
Locality: Monte Somma, Italy |
|
_database_code_amcsd 0005697 |
|
12.1969 12.1969 7.5763 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3570 .2820 .5 .03 1.7 |
|
KM .3570 .2820 .5 .01 1.7 |
|
CaM .3570 .2820 .5 .96 1.7 |
|
Si1 .3409 .4083 0 .75 1.1 |
|
Al1 .3409 .4083 0 .25 1.1 |
|
Si2 .6588 .9143 .7916 .39 1.3 |
|
Al2 .6588 .9143 .7916 .61 1.3 |
|
O1 .460 .349 0 1.5 |
|
O2 .683 .8771 0 .6 |
|
O3 .3523 .9520 .792 1.3 |
|
O4 .2683 .3676 .822 1.2 |
|
ClA .5 .5 .5 .01 |
|
SA .5 .5 .5 .02 |
|
C .509 .481 .5 .11 3.5 |
|
O7 .517 .376 .5 .11 3.5 |
|
O8 .596 .540 .5 .11 3.5 |
|
O9 .414 .526 .5 .11 3.5 |
|
O10 .600 .518 .606 .01 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Meionite |
|
Sherriff B L, Sokolova E V, Kabalov Y K, Jenkins D M, Kunath-Fandrei G, |
|
Goetz S, Jager C, Schneider J |
|
The Canadian Mineralogist 38 (2000) 1201-1213 |
|
Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR |
|
spectroscopy, and comments on the marialite-meionite series |
|
Sample: S.MEI, Synthetic |
|
_database_code_amcsd 0005698 |
|
12.2119 12.2119 7.5811 90 90 90 I4/m |
|
atom x y z occ Biso |
|
CaM .3556 .2798 .5 .96 1.5 |
|
Si1 .341 .407 0 .5 2.2 |
|
Al1 .341 .407 0 .5 2.2 |
|
Si2 .6595 .9136 .7925 .5 1.8 |
|
Al2 .6595 .9136 .7925 .5 1.8 |
|
O1 .461 .350 0 1.9 |
|
O2 .689 .874 0 2.4 |
|
O3 .351 .948 .794 1.3 |
|
O4 .263 .363 .827 2.6 |
|
C .509 .481 .5 .13 3.5 |
|
O7 .517 .376 .5 .13 3.5 |
|
O8 .596 .540 .5 .13 3.5 |
|
O9 .414 .526 .5 .13 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
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