|
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)
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: 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
|
| |
|
Eckermannite |
|
Raudsepp M, Turnock A C, Hawthorne F C |
|
American Mineralogist 72 (1987) 959-964 |
|
Characterization of cation ordering in synthetic scandium-fluor-eckermannite, |
|
indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure |
|
refinement |
|
Sample: FScEC-A3 |
|
_database_code_amcsd 0001115 |
|
9.8384 18.0634 5.2926 90 103.650 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1151 .0877 .214 .8 |
|
O2 .1159 .1673 .724 .8 |
|
F3 .1068 0 .712 .8 |
|
O4 .3609 .2481 .795 .8 |
|
O5 .3490 .1269 .080 1.1 |
|
O6 .3475 .1172 .590 1.1 |
|
O7 .345 0 .300 1.2 |
|
Si1 .2828 .0839 .2915 .4 |
|
Si2 .2884 .1688 .7945 .4 |
|
Mg1 0 .0865 .5 .974 .6 |
|
Sc1 0 .0865 .5 .026 .6 |
|
Mg2 0 .1817 0 .573 .6 |
|
Sc2 0 .1817 0 .427 .6 |
|
Mg3 0 0 0 .6 |
|
Na4 0 .2756 .5 .9 |
|
NaA .032 .5 .080 .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
|
| |
|
Eckermannite |
|
Raudsepp M, Turnock A C, Hawthorne F C |
|
American Mineralogist 72 (1987) 959-964 |
|
Characterization of cation ordering in synthetic scandium-fluor-eckermannite, |
|
indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure |
|
refinement |
|
Sample: FInEC-A3 |
|
_database_code_amcsd 0001116 |
|
9.8527 18.0966 5.2928 90 103.521 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1188 .0844 .222 .8 |
|
O2 .1164 .1657 .721 .8 |
|
F3 .106 0 .716 .8 |
|
O4 .3575 .2453 .789 .8 |
|
O5 .3548 .1261 .083 1.1 |
|
O6 .3439 .1173 .586 1.1 |
|
O7 .347 0 .292 1.2 |
|
Si1 .2848 .0840 .2905 .4 |
|
Si2 .2880 .1678 .7957 .4 |
|
Mg1 0 .0846 .5 .6 |
|
Mg2 0 .1822 0 .519 .6 |
|
In2 0 .1822 0 .481 .6 |
|
Mg3 0 0 0 .6 |
|
Na4 0 .2759 .5 .9 |
|
NaA .029 .5 .077 .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
|
| |
|
Nyboite |
|
Raudsepp M, Turnock A C, Hawthorne F C |
|
American Mineralogist 72 (1987) 959-964 |
|
Characterization of cation ordering in synthetic scandium-fluor-eckermannite, |
|
indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure |
|
refinement |
|
Sample: FScNY-A3 |
|
_database_code_amcsd 0001117 |
|
9.8425 18.157 5.3381 90 103.979 90 C2/m |
|
atom x y z occ Biso |
|
O1 .108 .0906 .210 .8 |
|
O2 .121 .1662 .728 .8 |
|
F3 .101 0 .710 .8 |
|
O4 .361 .2475 .788 .8 |
|
O5 .347 .1326 .085 1.1 |
|
O6 .343 .1194 .593 1.1 |
|
O7 .342 0 .300 1.2 |
|
Si1 .2842 .0838 .290 .75 .4 |
|
Al1 .2842 .0838 .290 .25 .4 |
|
Si2 .2926 .1679 .800 .4 |
|
Mg1 0 .0876 .5 .6 |
|
Mg2 0 .1801 0 .107 .6 |
|
Sc2 0 .1801 0 .893 .6 |
|
Mg3 0 0 0 .6 |
|
Na4 0 .2776 .5 .9 |
|
NaA .043 .5 .102 .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
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
American Mineralogist 75 (1990) 1274-1281 |
|
Crystal chemistry of synthetic pyroxenes on the join CaNiSi2O6-CaMgSi2O6 |
|
(diopside): A Rietveld refinement study |
|
sample Ni100, CaNiSi2O6 |
|
_database_code_amcsd 0001333 |
|
9.7359 8.8932 5.2284 90 105.830 90 C2/c |
|
atom x y z Biso |
|
Ni1 0 .9087 .25 0.37 |
|
Ca2 0 .2983 .25 .635 |
|
Si .2866 .0924 .2252 .349 |
|
O1 .1157 .0849 .1403 0.51 |
|
O2 .3578 .2540 .3230 0.65 |
|
O3 .3503 .0203 .9921 0.56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
American Mineralogist 75 (1990) 1274-1281 |
|
Crystal chemistry of synthetic pyroxenes on the join CaNiSi2O6-CaMgSi2O6 |
|
(diopside): A Rietveld refinement study |
|
sample Ni80, CaNi.74Mg.26Si2O6 |
|
_database_code_amcsd 0001334 |
|
9.7372 8.8986 5.2313 90 105.826 90 C2/c |
|
atom x y z occ Biso |
|
Ni1 0 .9095 .25 .74 0.37 |
|
Mg1 0 .9095 .25 .26 0.37 |
|
Ca2 0 .2985 .25 .635 |
|
Si .2867 .0938 .2389 .349 |
|
O1 .1153 .0860 .1453 0.51 |
|
O2 .3590 .2532 .3202 0.65 |
|
O3 .3505 .0184 .9901 0.56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
American Mineralogist 75 (1990) 1274-1281 |
|
Crystal chemistry of synthetic pyroxenes on the join CaNiSi2O6-CaMgSi2O6 |
|
(diopside): A Rietveld refinement study |
|
sample Ni50, CaNi.45Mg.55Si2O6 |
|
_database_code_amcsd 0001335 |
|
9.7390 8.9094 5.2375 90 105.848 90 C2/c |
|
atom x y z occ Biso |
|
Ni1 0 .9079 .25 .45 0.37 |
|
Mg1 0 .9079 .25 .55 0.37 |
|
Ca2 0 .2994 .25 .635 |
|
Si .2865 .0934 .2283 .349 |
|
O1 .1150 .0874 .1439 0.51 |
|
O2 .3610 .2519 .3190 0.65 |
|
O3 .3514 .0178 .9961 0.56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
American Mineralogist 75 (1990) 1274-1281 |
|
Crystal chemistry of synthetic pyroxenes on the join CaNiSi2O6-CaMgSi2O6 |
|
(diopside): A Rietveld refinement study |
|
sample Ni25, CaNi.22Mg.78Si2O6 |
|
_database_code_amcsd 0001336 |
|
9.7393 8.9095 5.2418 90 105.850 90 C2/c |
|
atom x y z occ Biso |
|
Ni1 0 .9072 .25 .22 0.37 |
|
Mg1 0 .9072 .25 .78 0.37 |
|
Ca2 0 .3000 .25 .635 |
|
Si .2876 .0905 .2299 .349 |
|
O1 .1158 .0861 .1407 0.51 |
|
O2 .3633 .2488 .3218 0.65 |
|
O3 .3490 .0180 .9928 0.56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
American Mineralogist 75 (1990) 1274-1281 |
|
Crystal chemistry of synthetic pyroxenes on the join CaNiSi2O6-CaMgSi2O6 |
|
(diopside): A Rietveld refinement study |
|
sample Ni0, CaMgSi2O6 |
|
_database_code_amcsd 0001337 |
|
9.7470 8.9235 5.2524 90 105.939 90 C2/c |
|
atom x y z Biso |
|
Mg1 0 .9071 .25 0.37 |
|
Ca2 0 .2995 .25 .635 |
|
Si .2857 .0943 .2312 .349 |
|
O1 .1144 .0900 .1420 0.51 |
|
O2 .3619 .2516 .3176 0.65 |
|
O3 .3499 .0185 .9974 0.56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
The Canadian Mineralogist 28 (1990) 93-109 |
|
Evaluation of the Rietveld method for the characterization of fine-grained |
|
products of the mineral synthesis: the diopside-hedenbergite join |
|
Sample: D0 |
|
_database_code_amcsd 0005234 |
|
9.7470 8.9235 5.2524 90 105.939 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .9071 .25 .37 |
|
CaM2 0 .2995 .25 .89 .635 |
|
MgM2 0 .2995 .25 .11 .635 |
|
SiT .2857 .0943 .2312 .349 |
|
O1 .1144 .0900 .1420 .51 |
|
O2 .3619 .2516 .3176 .65 |
|
O3 .3499 .0185 .9974 .56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
The Canadian Mineralogist 28 (1990) 93-109 |
|
Evaluation of the Rietveld method for the characterization of fine-grained |
|
products of the mineral synthesis: the diopside-hedenbergite join |
|
Sample: D2 |
|
_database_code_amcsd 0005235 |
|
9.7634 8.9488 5.2504 90 105.726 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .9090 .25 .82 .37 |
|
FeM1 0 .9090 .25 .18 .37 |
|
CaM2 0 .2999 .25 .635 |
|
SiT .2875 .0928 .2323 .349 |
|
O1 .1162 .0896 .1403 .51 |
|
O2 .3610 .2488 .3184 .65 |
|
O3 .3520 .0175 .9968 .56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
The Canadian Mineralogist 28 (1990) 93-109 |
|
Evaluation of the Rietveld method for the characterization of fine-grained |
|
products of the mineral synthesis: the diopside-hedenbergite join |
|
Sample: D3 |
|
_database_code_amcsd 0005236 |
|
9.7730 8.9523 5.2524 90 105.676 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .9080 .25 .74 .37 |
|
FeM1 0 .9080 .25 .26 .37 |
|
CaM2 0 .3000 .25 .635 |
|
SiT .2873 .0932 .2323 .349 |
|
O1 .1169 .0912 .1453 .51 |
|
O2 .3623 .2488 .3227 .65 |
|
O3 .3505 .0178 .9980 .56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
The Canadian Mineralogist 28 (1990) 93-109 |
|
Evaluation of the Rietveld method for the characterization of fine-grained |
|
products of the mineral synthesis: the diopside-hedenbergite join |
|
Sample: D5 |
|
_database_code_amcsd 0005237 |
|
9.795 8.979 5.2545 90 105.500 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .9078 .25 .52 .37 |
|
FeM1 0 .9078 .25 .48 .37 |
|
CaM2 0 .2973 .25 .635 |
|
SiT .2894 .0922 .2321 .349 |
|
O1 .1182 .0897 .1508 .51 |
|
O2 .3644 .2480 .3233 .65 |
|
O3 .3514 .0160 .9970 .56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
The Canadian Mineralogist 28 (1990) 93-109 |
|
Evaluation of the Rietveld method for the characterization of fine-grained |
|
products of the mineral synthesis: the diopside-hedenbergite join |
|
Sample: D7 |
|
_database_code_amcsd 0005238 |
|
9.814 8.9959 5.2534 90 105.331 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .9056 .25 .34 .37 |
|
FeM1 0 .9056 .25 .66 .37 |
|
CaM2 0 .2972 .25 .635 |
|
SiT .2879 .0920 .2310 .349 |
|
O1 .1192 .0909 .1458 .51 |
|
O2 .3607 .2498 .3210 .65 |
|
O3 .3525 .0188 .9916 .56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-edenite |
| |
Boschmann K F, Burns P C, Hawthorne F C, Raudsepp M, Turnock A C |
|
The Canadian Mineralogist 32 (1994) 21-30 |
|
A-site disorder in synthetic fluor-edenite, a crystal-structure study |
|
_database_code_amcsd 0005344 |
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9.821 17.934 5.282 90 105.08 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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SiT1 .28176 .08479 .3025 .81 .0078 .0084 .0080 -.0003 .0014 -.0002 |
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SiT2 .29057 .17251 .8113 .0066 .0079 .0067 -.0003 .0014 .0002 |
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Mg1 0 .08902 .5 .0075 .0069 .0056 0 .0020 0 |
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AlM2 0 .17547 0 .18 .0061 .0070 .0062 0 .0019 0 |
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MgM2 0 .17547 0 .82 .0061 .0070 .0062 0 .0019 0 |
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Mg3 0 0 0 .0068 .0057 .0068 0 .0007 0 |
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Ca4 0 .27854 .5 .0134 .0110 .0120 0 .0067 0 |
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NaAm .0415 .5 .0953 .24 .02 |
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NaA2 0 .4765 0 .25 .02 |
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O1 .1084 .0860 .2182 .0081 .0122 .0089 -.0013 .0024 -.0013 |
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O2 .1191 .1714 .7312 .0083 .0090 .0091 .0002 .0012 .0007 |
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F3 .1044 0 .7133 .0106 .0110 .0111 0 .0040 0 |
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O4 .3656 .2504 .7884 .0140 .0094 .0119 -.0026 .0046 -.0003 |
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O5 .3511 .1391 .1108 .0111 .0157 .0107 -.0007 .0013 .0043 |
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O6 .3462 .1164 .6075 .0102 .0158 .0136 .0013 .0028 -.0052 |
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O7 .3448 0 .2784 .0117 .0107 .0174 0 .0056 0 |
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Fluoropargasite |
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Oberti R, Sardone N, Hawthorne F C, Raudsepp M, Turnock A C |
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The Canadian Mineralogist 33 (1995) 25-31 |
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Synthesis and crystal-structure refinement of synthetic fluor-pargasite |
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Sample: FP1 [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2] |
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Locality: Synthetic |
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_database_code_amcsd 0005425 |
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9.820 17.896 5.294 90 105.30 90 C2/m |
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atom x y z occ Biso |
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SiT1 .2821 .0854 .3043 .525 .44 |
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AlT1 .2821 .0854 .3043 .475 .44 |
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SiT2 .2913 .1733 .8147 .978 .48 |
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AlT2 .2913 .1733 .8147 .022 .48 |
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MgM1 0 .0894 .5 .51 |
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AlM2 0 .1754 0 .387 .50 |
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MgM2 0 .1754 0 .613 .50 |
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MgM3 0 0 0 .47 |
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CaM4 0 .2794 .5 .48 .74 |
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MgM4 0 .2794 .5 .02 .74 |
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CaM4' 0 .2536 .5 .48 .89 |
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MgM4' 0 .2536 .5 .02 .89 |
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NaA 0 .5 0 .17 4.04 |
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CaA 0 .5 0 .04 4.04 |
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NaA(m) .0401 .5 .0944 .17 2.85 |
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CaA(m) .0401 .5 .0944 .04 2.85 |
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NaA(2) 0 .4713 0 .17 2.00 |
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CaA(2) 0 .4713 0 .04 2.00 |
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O1 .1069 .0871 .2167 .71 |
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O2 .1185 .1722 .7357 .69 |
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F3 .1044 0 .7123 .77 |
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O4 .3670 .2517 .7898 .89 |
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O5 .3527 .1406 .1146 .95 |
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O6 .3460 .1167 .6112 .98 |
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O7 .3446 0 .2771 1.01 |
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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
|
| |
|
Fluoropargasite |
| |
Oberti R, Sardone N, Hawthorne F C, Raudsepp M, Turnock A C |
|
The Canadian Mineralogist 33 (1995) 25-31 |
|
Synthesis and crystal-structure refinement of synthetic fluor-pargasite |
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Sample FP2 [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2] |
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Locality: Synthetic |
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_database_code_amcsd 0005426 |
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9.808 17.868 5.297 90 105.30 90 C2/m |
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atom x y z occ Biso |
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SiT1 .2821 .0856 .3049 .5 .44 |
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AlT1 .2821 .0856 .3049 .5 .44 |
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SiT2 .2917 .1736 .8163 .97 .49 |
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AlT2 .2917 .1736 .8163 .03 .49 |
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MgM1 0 .0897 .5 .50 |
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AlM2 0 .1754 0 .469 .54 |
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MgM2 0 .1754 0 .531 .54 |
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MgM3 0 0 0 .48 |
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FeM4 0 .2797 .5 .70 |
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MgM4 0 .2797 .5 .70 |
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CaM4 0 .2797 .5 .70 |
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MgM4' 0 .2587 .5 1.17 |
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NaA 0 .5 0 .16 3.67 |
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CaA 0 .5 0 .04 3.67 |
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NaA(m) .0432 .5 .0958 .16 2.69 |
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CaA(m) .0432 .5 .0958 .04 2.69 |
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NaA(2) 0 .4713 0 .16 1.33 |
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CaA(2) 0 .4713 0 .04 1.33 |
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O1 .1064 .0879 .2155 .71 |
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O2 .1183 .1726 .7377 .69 |
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F3 .1044 0 .7120 .73 |
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O4 .3678 .2523 .7904 .91 |
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O5 .3536 .1414 .1168 .95 |
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O6 .3456 .1165 .6134 .98 |
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O7 .3442 0 .2762 1.03 |
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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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