|
Pargasite |
 |
Raudsepp M, Turnock A C, Hawthorne F C, Sherriff B L, Hartman J S |
 |
American Mineralogist 72 (1987) 580-593 |
|
Characterization of synthetic pargasitic amphiboles |
|
(NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy, |
|
Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy |
|
Sample: ScPA-A5 |
|
_database_code_amcsd 0001081 |
|
9.9405 18.094 5.2986 90 105.364 90 C2/m |
|
atom x y z occ Biso |
|
O1 .117 .0935 .233 .8 |
|
O2 .108 .1741 .712 .8 |
|
OH3 .109 0 .713 .8 |
|
O4 .352 .2495 .770 .8 |
|
O5 .354 .1401 .119 1.1 |
|
O6 .344 .1091 .638 1.1 |
|
O7 .348 0 .290 1.2 |
|
SiT1 .2824 .0820 .303 .75 .4 |
|
AlT1 .2824 .0820 .303 .25 .4 |
|
SiT2 .288 .1682 .811 .75 .4 |
|
AlT2 .288 .1682 .811 .25 .4 |
|
MgM1 0 .0865 .5 .6 |
|
MgM2 0 .1751 0 .789 .6 |
|
ScM2 0 .1751 0 .211 .6 |
|
MgM3 0 0 0 .792 .6 |
|
ScM3 0 0 0 .208 .6 |
|
CaM4 0 .2811 .5 .9 |
|
NaA 0 .5 0 2.3 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pargasite |
|
Raudsepp M, Turnock A C, Hawthorne F C, Sherriff B L, Hartman J S |
|
American Mineralogist 72 (1987) 580-593 |
|
Characterization of synthetic pargasitic amphiboles |
|
(NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy, |
|
Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy |
|
Sample: FPA-BUL |
|
_database_code_amcsd 0001082 |
|
9.8277 17.930 5.2931 90 105.168 90 C2/m |
|
atom x y z occ Biso |
|
O1 .119 .0868 .216 .8 |
|
O2 .116 .1676 .740 .8 |
|
F3 .106 0 .711 .8 |
|
O4 .366 .2522 .782 .8 |
|
O5 .357 .1380 .126 1.1 |
|
O6 .341 .1091 .631 1.1 |
|
O7 .348 0 .286 1.2 |
|
SiT1 .2821 .0831 .309 .75 .4 |
|
AlT1 .2821 .0831 .309 .25 .4 |
|
SiT2 .2953 .1721 .809 .75 .4 |
|
AlT2 .2953 .1721 .809 .25 .4 |
|
MgM1 0 .0888 .5 .8 .6 |
|
AlM1 0 .0888 .5 .2 .6 |
|
MgM2 0 .1775 0 .8 .6 |
|
AlM2 0 .1775 0 .2 .6 |
|
MgM3 0 0 0 .8 .6 |
|
AlM3 0 0 0 .2 .6 |
|
CaM4 0 .2768 .5 .9 |
|
NaA .024 .5 .057 .5 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pargasite |
|
Raudsepp M, Turnock A C, Hawthorne F C, Sherriff B L, Hartman J S |
|
American Mineralogist 72 (1987) 580-593 |
|
Characterization of synthetic pargasitic amphiboles |
|
(NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy, |
|
Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy |
|
Sample: FCrPA-A3 |
|
_database_code_amcsd 0001083 |
|
9.8402 17.9800 5.2914 90 105.108 90 C2/m |
|
atom x y z occ Biso |
|
O1 .113 .0876 .212 .8 |
|
O2 .114 .1703 .740 .8 |
|
F3 .100 0 .714 .8 |
|
O4 .359 .2498 .792 .8 |
|
O5 .363 .1379 .134 1.1 |
|
O6 .342 .1116 .622 1.1 |
|
O7 .356 0 .295 1.2 |
|
SiT1 .2817 .0824 .301 .75 .4 |
|
AlT1 .2817 .0824 .301 .25 .4 |
|
SiT2 .2924 .1703 .813 .75 .4 |
|
AlT2 .2924 .1703 .813 .25 .4 |
|
MgM1 0 .0879 .5 .92 .6 |
|
CrM1 0 .0879 .5 .08 .6 |
|
MgM2 0 .1767 0 .84 .6 |
|
CrM2 0 .1767 0 .16 .6 |
|
MgM3 0 0 0 .6 |
|
CaM4 0 .2776 .5 .9 |
|
NaA .031 .5 .072 .5 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pargasite |
|
Raudsepp M, Turnock A C, Hawthorne F C, Sherriff B L, Hartman J S |
|
American Mineralogist 72 (1987) 580-593 |
|
Characterization of synthetic pargasitic amphiboles |
|
(NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy, |
|
Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy |
|
Sample: FGaPA-A3 |
|
_database_code_amcsd 0001084 |
|
9.8600 17.9685 5.3027 90 105.198 90 C2/m |
|
atom x y z occ Biso |
|
O1 .118 .0896 .221 .8 |
|
O2 .106 .1703 .730 .8 |
|
F3 .101 0 .709 .8 |
|
O4 .359 .2487 .790 .8 |
|
O5 .350 .1377 .116 1.1 |
|
O6 .346 .1093 .615 1.1 |
|
O7 .344 0 .278 1.2 |
|
SiT1 .2844 .0842 .307 .75 .4 |
|
AlT1 .2844 .0842 .307 .25 .4 |
|
SiT2 .2893 .1707 .809 .75 .4 |
|
AlT2 .2893 .1707 .809 .25 .4 |
|
MgM1 0 .0875 .5 .6 |
|
MgM2 0 .1749 0 .9 .6 |
|
GaM2 0 .1749 0 .1 .6 |
|
MgM3 0 0 0 .962 .6 |
|
GaM3 0 0 0 .038 .6 |
|
CaM4 0 .2786 .5 .9 |
|
NaA .017 .5 .068 .5 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pargasite |
|
Raudsepp M, Turnock A C, Hawthorne F C, Sherriff B L, Hartman J S |
|
American Mineralogist 72 (1987) 580-593 |
|
Characterization of synthetic pargasitic amphiboles |
|
(NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy, |
|
Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy |
|
Sample: FScPA-A3 |
|
_database_code_amcsd 0001085 |
|
9.8852 18.1574 5.3186 90 105.213 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1108 .0864 .219 .8 |
|
O2 .1138 .1709 .724 .8 |
|
F .1008 0 .711 .8 |
|
O4 .3598 .2468 .788 .8 |
|
O5 .3535 .1388 .122 1.1 |
|
O6 .3447 .1140 .620 1.1 |
|
O7 .353 0 .291 1.2 |
|
SiT1 .2838 .0833 .304 .75 .4 |
|
AlT1 .2838 .0833 .304 .25 .4 |
|
SiT2 .2909 .1692 .8090 .75 .4 |
|
AlT2 .2909 .1692 .8090 .25 .4 |
|
MgM1 0 .0870 .5 .922 .6 |
|
ScM1 0 .0870 .5 .078 .6 |
|
MgM2 0 .1763 0 .597 .6 |
|
ScM2 0 .1763 0 .403 .6 |
|
MgM3 0 0 0 .6 |
|
CaM4 0 .2791 .5 .9 |
|
NaA .029 .5 .068 .5 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample AF-47 |
|
_database_code_amcsd 0001320 |
|
6.713 7.708 7.0194 91.31 117.93 91.77 C-1 |
|
atom x y z Uiso |
|
P -.01605 .34212 .26653 .0041 |
|
Al1 0 0 0 .0048 |
|
Al2 0 0 .5 .0046 |
|
O1 -.3172 .0154 -.1592 .0066 |
|
O2 .2981 .0581 .5743 .0065 |
|
O3 .1013 -.2234 -.3897 .0063 |
|
O4 .0265 .2362 .1035 .0076 |
|
Oh .0471 .0890 -.2265 .0059 |
|
Li .0696 -.3202 .3101 .0172 |
|
H .183 .129 .848 .0100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample AF-43 |
|
_database_code_amcsd 0001321 |
|
6.713 7.711 7.0102 91.22 117.91 91.67 C-1 |
|
atom x y z occ Uiso |
|
P -.01576 .34196 .26542 .0052 |
|
Al1 0 0 0 .0058 |
|
Al2 0 0 .5 .0056 |
|
O1 -.3172 .0156 -.1579 .0080 |
|
O2 .2983 .0584 .5758 .0079 |
|
O3 .1010 -.2236 -.3895 .0075 |
|
O4 .0266 .2357 .1026 .0086 |
|
Oh .0442 .0882 -.2278 .911 .0079 |
|
F .0442 .0882 -.2278 .089 .0079 |
|
Li1 .06 -.318 .285 .5 .0118 |
|
Li2 .08 -.322 .331 .5 .0118 |
|
H .178 .132 .850 .911 .0100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample A-2 |
|
_database_code_amcsd 0001322 |
|
6.6984 7.710 6.983 91.06 117.81 91.49 C-1 |
|
atom x y z occ Uiso |
|
P -.01538 .34136 .26351 .0054 |
|
Al1 0 0 0 .0058 |
|
Al2 0 0 .5 .0055 |
|
O1 -.3169 .0159 -.1551 .0084 |
|
O2 .2980 .0589 .5783 .0087 |
|
O3 .1004 -.2227 -.3879 .0079 |
|
O4 .0258 .2346 .0998 .0094 |
|
Oh .0391 .0871 -.2306 .706 .0088 |
|
F .0391 .0871 -.2306 .294 .0088 |
|
Li1 .05 -.33 .28 .5 .0222 |
|
Li2 .08 -.31 .32 .5 .0222 |
|
H .190 .129 .832 .706 .0100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample A-1 |
|
_database_code_amcsd 0001323 |
|
6.6837 7.7080 6.9671 90.94 117.75 91.36 C-1 |
|
atom x y z occ Uiso |
|
P -.01496 .34095 .26173 .0059 |
|
Al1 0 0 0 .0060 |
|
Al2 0 0 .5 .0058 |
|
O1 -.3163 .0161 -.1523 .0087 |
|
O2 .2981 .0594 .5809 .0090 |
|
O3 .1001 -.2224 -.3868 .0080 |
|
O4 .0259 .2340 .0980 .0102 |
|
OH .0346 .0859 -.2329 .567 .0093 |
|
F .0346 .0859 -.2329 .433 .0093 |
|
Li1 .08 -.32 .28 .5 .0277 |
|
Li2 .05 -.32 .31 .5 .0277 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample AF-46 |
|
_database_code_amcsd 0001324 |
|
6.6782 7.7159 6.949 90.82 117.66 91.22 C-1 |
|
atom x y z occ Uiso |
|
P -.01457 .34047 .26018 .0057 |
|
Al1 0 0 0 .0060 |
|
Al2 0 0 .5 .0057 |
|
O1 -.3160 .0166 -.1500 .0086 |
|
O2 .2984 .0597 .5829 .0090 |
|
O3 .0998 -.2222 -.3860 .0081 |
|
O4 .0260 .2332 .0964 .0101 |
|
OH .0304 .0850 -.2352 .5 .0092 |
|
F .0304 .0850 -.2352 .5 .0092 |
|
Li1 .05 -.315 .263 .5 .0251 |
|
Li2 .061 -.329 .310 .5 .0251 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample M6116 |
|
_database_code_amcsd 0001325 |
|
6.644 7.744 6.910 90.35 117.33 91.01 C-1 |
|
atom x y z occ Uiso |
|
P -.01308 .3319 .25580 .0054 |
|
Al1 0 0 0 .0056 |
|
Al2 0 0 .5 .0055 |
|
O1 -.3148 .0192 -.1426 .0084 |
|
O2 .2987 .0609 .5884 .0087 |
|
O3 .0995 -.2209 -.3830 .0076 |
|
O4 .0290 .2320 .0925 .0097 |
|
F .0191 .0824 -.2413 .0098 |
|
Li1 .050 -.320 .2403 .5 .0201 |
|
Li2 .0654 -.3239 .3070 .5 .0201 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Amblygonite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample AF-65 |
|
_database_code_amcsd 0001326 |
|
6.6452 7.733 6.9193 90.35 117.44 91.20 C-1 |
|
atom x y z occ Uiso |
|
P -.01328 .33910 .25586 .0056 |
|
Al1 0 0 0 .0061 |
|
Al2 0 0 .5 .0057 |
|
O1 -.3152 .0188 -.1425 .0087 |
|
O2 .2988 .0606 .5882 .0090 |
|
O3 .0995 -.2210 -.3827 .0082 |
|
O4 .0285 .2317 .0924 .0097 |
|
F .0194 .0828 -.2410 .881 .0102 |
|
OH .0194 .0828 -.2410 .119 .0102 |
|
Li1 .0376 -.3230 .242 .5 .0197 |
|
Li2 .051 -.324 .301 .5 .0197 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
|
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
|
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
|
American Mineralogist 76 (1991) 370-396 |
|
Alpha-decay damage in titanite |
|
sample M28658 natural from Maevatanana, Malagasy Republic |
|
_database_code_amcsd 0001353 |
|
6.549 8.695 7.060 90 113.87 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1677 .75 .0072 .0071 .0254 0 -.0005 0 |
|
Ti 0 .5 0 .0047 .0081 .0178 -.0002 .0017 .0045 |
|
Si 0 .1828 .25 .0042 .0059 .0070 0 .0019 0 |
|
O1 0 .5714 .25 .0118 .0083 .0082 0 .0055 0 |
|
O2 .1855 .0663 .4102 .0057 .0090 .0110 .0007 .0020 .0017 |
|
O3 .1025 .2893 .1185 .0068 .0088 .0098 .0001 .0037 .0008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
|
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
|
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
|
American Mineralogist 76 (1991) 370-396 |
|
Alpha-decay damage in titanite |
|
sample M28658 annealed at 1090 C, from Maevatanana, Malagasy Republic |
|
_database_code_amcsd 0001354 |
|
6.539 8.692 7.037 90 113.79 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1681 .75 .0070 .0055 .0233 0 -.0010 0 |
|
Ti 0 .5 0 .0048 .0059 .0145 .0001 .0018 .0047 |
|
Si 0 .1830 .25 .0046 .0034 .0055 0 .0017 0 |
|
O1 0 .5706 .25 .0145 .0071 .0058 0 .0056 0 |
|
O2 .1854 .0666 .4107 .0065 .0071 .0099 .0005 .0015 .0010 |
|
O3 .1024 .2896 .1177 .0064 .0064 .0074 .0022 .0031 .0033 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
|
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
|
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
|
American Mineralogist 76 (1991) 370-396 |
|
Alpha-decay damage in titanite |
|
sample E2312 natural, from Sebastapol Twp., Ontario |
|
_database_code_amcsd 0001355 |
|
6.554 8.708 7.069 90 113.93 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1675 .75 .0090 .0072 .0309 0 -.0013 0 |
|
Ti 0 .5 0 .0072 .0087 .0174 .0041 .0025 .0000 |
|
Si 0 .1830 .25 .0065 .0064 .0078 0 .0025 0 |
|
O1 0 .5719 .25 .0127 .0081 .0087 0 .0047 0 |
|
O2 .1855 .0665 .4104 .0082 .0107 .0126 .0018 .0015 .0006 |
|
O3 .1027 .2897 .1186 .0098 .0093 .0128 .0018 .0052 .0009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
|
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
|
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
|
American Mineralogist 76 (1991) 370-396 |
|
Alpha-decay damage in titanite |
|
sample E2312 annealed at 1090 C, from Sebastapol Twp., Ontario |
|
_database_code_amcsd 0001356 |
|
6.547 8.695 7.059 90 113.94 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1673 .75 .0076 .0061 .0269 0 -.0005 0 |
|
Ti 0 .5 0 .0047 .0064 .0152 .0044 .0021 -.0001 |
|
Si 0 .1832 .25 .0052 .0050 .0069 0 .0024 0 |
|
O1 0 .5717 .25 .0102 .0056 .0072 0 .0049 0 |
|
O2 .1857 .0665 .4108 .0070 .0071 .0112 .0012 .0024 .0005 |
|
O3 .1030 .2896 .1188 .0076 .0065 .0094 .0015 .0039 .0008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
|
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
|
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
|
American Mineralogist 76 (1991) 370-396 |
|
Alpha-decay damage in titanite |
|
sample M28173 natural, from Gjerstad, Norway |
|
_database_code_amcsd 0001357 |
|
6.564 8.719 7.057 90 113.79 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1686 .75 .0105 .0086 .0336 0 -.0022 0 |
|
Ti 0 .5 0 .0105 .0123 .0200 .0036 .0036 .0004 |
|
Si 0 .1827 .25 .0094 .0084 .0102 0 .0036 0 |
|
O1 0 .5717 .25 .0163 .0124 .0138 0 .0057 0 |
|
O2 .1851 .0660 .4103 .0117 .0149 .0170 .0019 .0024 -.0004 |
|
O3 .1033 .2895 .1188 .0130 .0130 .0169 .0022 .0060 .0016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
|
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
|
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
|
American Mineralogist 76 (1991) 370-396 |
|
Alpha-decay damage in titanite |
|
sample M28173 annealed at 1090 C, from Gjerstad, Norway |
|
_database_code_amcsd 0001358 |
|
6.538 8.699 7.044 90 113.76 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1678 .75 .0061 .0058 .0240 0 -.0018 0 |
|
Ti 0 .5 0 .0055 .0076 .0134 .0036 .0018 -.0001 |
|
Si 0 .1828 .25 .0060 .0058 .0071 0 .0022 0 |
|
O1 0 .5727 .25 .0111 .0089 .0065 0 .0035 0 |
|
O2 .1850 .0658 .4113 .0084 .0105 .0170 .0021 .0025 .0011 |
|
O3 .1035 .2892 .1187 .0104 .0084 .0169 .0027 .0059 .0010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
|
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
|
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
|
American Mineralogist 76 (1991) 370-396 |
|
Alpha-decay damage in titanite |
|
sample from Cardiff U Mine, Ontario, natural |
|
_database_code_amcsd 0001359 |
|
6.607 8.775 7.110 90 114.08 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1687 .75 .0173 .0165 .0566 0 -.0041 0 |
|
Ti 0 .5 0 .0202 .0245 .0405 .0049 .0056 .0015 |
|
Si 0 .1835 .25 .0171 .0190 .0241 0 .0049 0 |
|
O1 0 .5709 .25 .0227 .0218 .0283 0 .0061 0 |
|
O2 .1859 .0664 .4094 .0217 .0274 .0316 .0026 .0039 -.0007 |
|
O3 .1019 .2904 .1194 .0198 .0257 .0322 .0031 .0079 .0033 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
|
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
|
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
|
American Mineralogist 76 (1991) 370-396 |
|
Alpha-decay damage in titanite |
|
sample from Cardiff U Mine, Ontario, annealed at 1090 C |
|
_database_code_amcsd 0001360 |
|
6.530 8.677 7.048 90 113.91 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1669 .75 .0016 .0001 .0194 0 -.0033 0 |
|
Ti 0 .5 0 .0039 .0053 .0144 -.0001 .0018 .0049 |
|
Si 0 .1835 .25 .0023 .0010 .0024 0 .0016 0 |
|
O1 0 .5725 .25 .0070 .0018 .0001 0 .0000 0 |
|
O2 .1877 .0668 .4115 .0007 .0054 .0065 -.0009 .0000 .0010 |
|
O3 .1034 .2904 .1186 .0032 .0019 .0059 .0012 .0023 .0015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Sherriff B L, Grundy H D, Hartman J S, Hawthorne F C, Cerny P |
|
The Canadian Mineralogist 29 (1991) 271-285 |
|
The incorporation of alkalis in beryl: multi-nuclear MAS NMR |
|
and crystal-structure study |
|
Sample: SHEE-1-6 |
|
Locality: SHEE-1 pegmatite dike, eastern end of Shatford Lake, southeastern Manitoba, Canada |
|
_database_code_amcsd 0005258 |
|
9.206 9.206 9.185 90 90 120 P6/mcc |
|
atom x y z occ Uiso |
|
Si .3875 .1158 0 .0029 |
|
Be 1/2 0 1/4 .0057 |
|
Al 2/3 1/3 1/4 .98 .0046 |
|
Fe 2/3 1/3 1/4 .02 .0046 |
|
O1 .3095 .2362 0 .0080 |
|
O2 .4987 .1454 .1454 .0053 |
|
Na 0 0 0 .03 .0150 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Sherriff B L, Grundy H D, Hartman J S, Hawthorne F C, Cerny P |
|
The Canadian Mineralogist 29 (1991) 271-285 |
|
The incorporation of alkalis in beryl: multi-nuclear MAS NMR |
|
and crystal-structure study |
|
Sample: EEE-10 |
|
Locality: Bernic Lake, Manitoba, Canada |
|
_database_code_amcsd 0005259 |
|
9.202 9.202 9.207 90 90 120 P6/mcc |
|
atom x y z occ Uiso |
|
Si .3888 .1181 0 .0051 |
|
Be 1/2 0 1/4 .93 .0094 |
|
Li 1/2 0 1/4 .07 .0094 |
|
Al 2/3 1/3 1/4 .0054 |
|
O1 .3064 .2354 0 .0119 |
|
O2 .4984 .1468 .1448 .0102 |
|
Na 0 0 0 .23 .0129 |
|
Li 0 0 0 .33 .0129 |
|
Cs 0 0 1/4 .08 .0484 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Sherriff B L, Grundy H D, Hartman J S, Hawthorne F C, Cerny P |
|
The Canadian Mineralogist 29 (1991) 271-285 |
|
The incorporation of alkalis in beryl: multi-nuclear MAS NMR |
|
and crystal-structure study |
|
Sample: BLM503 |
|
Locality: Bernic Lake, Manitoba, Canada |
|
_database_code_amcsd 0005260 |
|
9.210 9.210 9.230 90 90 120 P6/mcc |
|
atom x y z occ Uiso |
|
Si .3890 .1185 0 .0042 |
|
Be 1/2 0 1/4 .90 .0088 |
|
Li 1/2 0 1/4 .10 .0088 |
|
Al 2/3 1/3 1/4 .0052 |
|
O1 .3060 .2354 0 .0117 |
|
O2 .4982 .1469 .1448 .0103 |
|
Na 0 0 0 .19 .0217 |
|
Li 0 0 0 .32 .0217 |
|
Cs 0 0 1/4 .11 .0367 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Sherriff B L, Grundy H D, Hartman J S, Hawthorne F C, Cerny P |
|
The Canadian Mineralogist 29 (1991) 271-285 |
|
The incorporation of alkalis in beryl: multi-nuclear MAS NMR |
|
and crystal-structure study |
|
Sample: T-24 |
|
Locality: Bernic Lake, Manitoba, Canada |
|
_database_code_amcsd 0005261 |
|
9.228 9.228 9.240 90 90 120 P6/mcc |
|
atom x y z occ Uiso |
|
Si .3893 .1192 0 .0070 |
|
Be 1/2 0 1/4 .85 .0122 |
|
Li 1/2 0 1/4 .15 .0122 |
|
Al 2/3 1/3 1/4 .0054 |
|
O1 .3043 .2349 0 .0147 |
|
O2 .4985 .1477 .1466 .0145 |
|
Na 0 0 0 .28 .0251 |
|
Li 0 0 0 .01 .0251 |
|
Cs 0 0 1/4 .15 .0389 |
|
|
| 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: 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 |
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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 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Scapolite |
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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 and Rietveld |
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structure-refinement |
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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 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Meionite |
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Sherriff B L, Sokolova E V, Kabalov Y K, Jenkins D M, Kunath-Fandrei G, |
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Goetz S, Jager C, Schneider J |
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The Canadian Mineralogist 38 (2000) 1201-1213 |
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Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR |
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spectroscopy, and comments on the marialite-meionite series |
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Note: sample BOLT |
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Locality: Bolton, Massachusetts, USA |
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_database_code_amcsd 0005695 |
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12.1476 12.1476 7.5636 90 90 90 I4/m |
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atom x y z occ Biso |
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NaM .3589 .2843 .5 .28 2.27 |
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KM .3589 .2843 .5 .05 2.27 |
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CaM .3589 .2843 .5 .67 2.27 |
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SiT1 .3403 .4099 0 .88 1.43 |
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AlT1 .3403 .4099 0 .12 1.43 |
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SiT2 .6592 .9132 .7929 .45 1.53 |
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AlT2 .6592 .9132 .7929 .55 1.53 |
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O1 .4580 .3502 0 1.6 |
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O2 .6852 .8744 0 1.5 |
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O3 .3516 .9522 .7911 2.0 |
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O4 .2693 .3685 .8239 2.0 |
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ClA .5 .5 .5 .07 |
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FA .5 .5 .5 .03 |
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C .509 .481 .5 .11 3.5 |
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O7 .517 .376 .5 .11 3.5 |
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O8 .596 .540 .5 .11 3.5 |
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O9 .414 .526 .5 .11 3.5 |
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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
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| |
|
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 |
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spectroscopy, and comments on the marialite-meionite series |
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Note: sample SL-1 |
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Locality: Slyudyanka mineral deposit, eastern Siberia, Russia |
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_database_code_amcsd 0005696 |
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12.1637 12.1637 7.5739 90 90 90 I4/m |
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atom x y z occ Biso |
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NaM .3577 .2838 .5 .19 1.89 |
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KM .3577 .2838 .5 .01 1.89 |
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CaM .3577 .2838 .5 .78 1.89 |
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Si1 .3409 .4096 0 .90 1.7 |
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Al1 .3409 .4096 0 .10 1.7 |
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Si2 .6581 .9133 .7926 .4 1.7 |
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Al2 .6581 .9133 .7926 .6 1.7 |
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O1 .4588 .3500 0 1.7 |
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O2 .6862 .8756 0 1.5 |
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O3 .3518 .9526 .7896 2.0 |
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O4 .2680 .3657 .826 2.7 |
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ClA .5 .5 .5 .01 |
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SA .5 .5 .5 .16 |
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C .509 .481 .5 .08 3.5 |
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O7 .517 .376 .5 .08 3.5 |
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O8 .596 .540 .5 .08 3.5 |
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O9 .414 .526 .5 .08 3.5 |
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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 |
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Note: sample MONT |
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Locality: Monte Somma, Italy |
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_database_code_amcsd 0005697 |
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12.1969 12.1969 7.5763 90 90 90 I4/m |
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atom x y z occ Biso |
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NaM .3570 .2820 .5 .03 1.7 |
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KM .3570 .2820 .5 .01 1.7 |
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CaM .3570 .2820 .5 .96 1.7 |
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Si1 .3409 .4083 0 .75 1.1 |
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Al1 .3409 .4083 0 .25 1.1 |
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Si2 .6588 .9143 .7916 .39 1.3 |
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Al2 .6588 .9143 .7916 .61 1.3 |
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O1 .460 .349 0 1.5 |
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O2 .683 .8771 0 .6 |
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O3 .3523 .9520 .792 1.3 |
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O4 .2683 .3676 .822 1.2 |
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ClA .5 .5 .5 .01 |
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SA .5 .5 .5 .02 |
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C .509 .481 .5 .11 3.5 |
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O7 .517 .376 .5 .11 3.5 |
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O8 .596 .540 .5 .11 3.5 |
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O9 .414 .526 .5 .11 3.5 |
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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 |
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Sample: S.MEI, Synthetic |
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_database_code_amcsd 0005698 |
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12.2119 12.2119 7.5811 90 90 90 I4/m |
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atom x y z occ Biso |
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CaM .3556 .2798 .5 .96 1.5 |
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Si1 .341 .407 0 .5 2.2 |
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Al1 .341 .407 0 .5 2.2 |
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Si2 .6595 .9136 .7925 .5 1.8 |
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Al2 .6595 .9136 .7925 .5 1.8 |
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O1 .461 .350 0 1.9 |
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O2 .689 .874 0 2.4 |
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O3 .351 .948 .794 1.3 |
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O4 .263 .363 .827 2.6 |
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C .509 .481 .5 .13 3.5 |
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O7 .517 .376 .5 .13 3.5 |
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O8 .596 .540 .5 .13 3.5 |
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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
|
| |
|
Silvialite |
| |
Teertstra D K, Schindler M, Sherriff B L, Hawthorne F C |
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Mineralogical Magazine 63 (1999) 321-329 |
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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 |
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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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