|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 1500 C, initially annealed at 800 C |
|
_database_code_amcsd 0001470 |
|
8.05154 8.05154 8.05154 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .194 0.31 |
|
Al1 .125 .125 .125 .806 0.31 |
|
Al2 .5 .5 .5 .597 0.40 |
|
Ni2 .5 .5 .5 .403 0.40 |
|
O .2564 .2564 .2564 0.70 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 1400 C, initially annealed at 800 C |
|
_database_code_amcsd 0001471 |
|
8.05221 8.05221 8.05221 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .203 0.34 |
|
Al1 .125 .125 .125 .797 0.34 |
|
Al2 .5 .5 .5 .601 0.38 |
|
Ni2 .5 .5 .5 .398 0.38 |
|
O .2563 .2563 .2563 0.76 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 1200 C, initially annealed at 800 C |
|
_database_code_amcsd 0001472 |
|
8.05146 8.05146 8.05146 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .196 0.36 |
|
Al1 .125 .125 .125 .804 0.36 |
|
Al2 .5 .5 .5 .598 0.39 |
|
Ni2 .5 .5 .5 .402 0.39 |
|
O .2558 .2558 .2558 0.75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 1100 C, initially annealed at 800 C |
|
_database_code_amcsd 0001473 |
|
8.05038 8.05038 8.05038 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .179 0.33 |
|
Al1 .125 .125 .125 .821 0.33 |
|
Al2 .5 .5 .5 .590 0.39 |
|
Ni2 .5 .5 .5 .410 0.39 |
|
O .2562 .2562 .2562 0.71 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 1000 C, initially annealed at 800 C |
|
_database_code_amcsd 0001474 |
|
8.04899 8.04899 8.04899 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .160 0.35 |
|
Al1 .125 .125 .125 .840 0.35 |
|
Al2 .5 .5 .5 .580 0.40 |
|
Ni2 .5 .5 .5 .420 0.40 |
|
O .2555 .2555 .2555 0.71 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 900 C, initially annealed at 800 C |
|
_database_code_amcsd 0001475 |
|
8.04741 8.04741 8.04741 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .141 0.32 |
|
Al1 .125 .125 .125 .859 0.32 |
|
Al2 .5 .5 .5 .571 0.39 |
|
Ni2 .5 .5 .5 .430 0.39 |
|
O .2552 .2552 .2552 0.72 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 800 C, initially annealed at 800 C |
|
_database_code_amcsd 0001476 |
|
8.04622 8.04622 8.04622 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .136 0.36 |
|
Al1 .125 .125 .125 .864 0.36 |
|
Al2 .5 .5 .5 .568 0.42 |
|
Ni2 .5 .5 .5 .432 0.42 |
|
O .2552 .2552 .2552 0.70 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 1500 C, initially annealed at 1300 C |
|
_database_code_amcsd 0001477 |
|
8.05263 8.05263 8.05263 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .207 0.40 |
|
Al1 .125 .125 .125 .793 0.40 |
|
Al2 .5 .5 .5 .604 0.43 |
|
Ni2 .5 .5 .5 .396 0.43 |
|
O .2565 .2565 .2565 0.72 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 1300 C, initially annealed at 1300 C |
|
_database_code_amcsd 0001478 |
|
8.05199 8.05199 8.05199 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .198 0.36 |
|
Al1 .125 .125 .125 .802 0.36 |
|
Al2 .5 .5 .5 .599 0.36 |
|
Ni2 .5 .5 .5 .401 0.36 |
|
O .2557 .2557 .2557 0.73 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 1200 C, initially annealed at 1300 C |
|
_database_code_amcsd 0001479 |
|
8.05145 8.05145 8.05145 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .201 0.36 |
|
Al1 .125 .125 .125 .799 0.36 |
|
Al2 .5 .5 .5 .600 0.38 |
|
Ni2 .5 .5 .5 .400 0.38 |
|
O .2562 .2562 .2562 0.71 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 1100 C, initially annealed at 1300 C |
|
_database_code_amcsd 0001480 |
|
8.05059 8.05059 8.05059 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .186 0.39 |
|
Al1 .125 .125 .125 .814 0.39 |
|
Al2 .5 .5 .5 .593 0.40 |
|
Ni2 .5 .5 .5 .407 0.40 |
|
O .2562 .2562 .2562 0.71 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 1000 C, initially annealed at 1300 C |
|
_database_code_amcsd 0001481 |
|
8.04897 8.04897 8.04897 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .167 0.36 |
|
Al1 .125 .125 .125 .833 0.36 |
|
Al2 .5 .5 .5 .584 0.37 |
|
Ni2 .5 .5 .5 .417 0.37 |
|
O .2557 .2557 .2557 0.75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Roelofsen J N, Peterson R C, Raudsepp M |
|
American Mineralogist 77 (1992) 522-528 |
|
Structural variation in nickel aluminate spinel (NiAl2O4) |
|
sample quench temperature = 900 C, initially annealed at 1300 C |
|
_database_code_amcsd 0001482 |
|
8.04751 8.04751 8.04751 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni1 .125 .125 .125 .145 0.33 |
|
Al1 .125 .125 .125 .855 0.33 |
|
Al2 .5 .5 .5 .572 0.39 |
|
Ni2 .5 .5 .5 .428 0.39 |
|
O .2555 .2555 .2555 0.74 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KNi0 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001574 |
|
10.0547 17.997 5.2746 90 104.832 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2761 .0859 .3013 0.4 |
|
Si2 .2843 .171 .8024 0.4 |
|
Mg1 0 .0895 .5 0.6 |
|
Mg2 0 .1798 0 0.6 |
|
Mg3 0 0 0 0.6 |
|
Na 0 .2761 .5 .5 0.9 |
|
Ca 0 .2761 .5 .5 0.9 |
|
K .0213 .5 .0278 .5 2.3 |
|
O1 .1079 .088 .2149 0.8 |
|
O2 .1136 .1716 .7176 0.8 |
|
OH3 .1078 0 .7236 0.8 |
|
O4 .3542 .2486 .7854 0.8 |
|
O5 .3345 .13 .0945 1.1 |
|
O6 .3399 .1159 .603 1.1 |
|
O7 .3271 0 .3072 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KNi20 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001575 |
|
10.0536 17.982 5.2702 90 104.879 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2761 .0849 .303 0.4 |
|
Si2 .2844 .1715 .8034 0.4 |
|
Mg1 0 .0901 .5 .72 0.6 |
|
Ni1 0 .0901 .5 .28 0.6 |
|
Mg2 0 .1790 0 .9 0.6 |
|
Ni2 0 .1790 0 .1 0.6 |
|
Mg3 0 0 0 .62 0.6 |
|
Ni3 0 0 0 .38 0.6 |
|
Na 0 .2763 .5 .5 0.9 |
|
Ca 0 .2763 .5 .5 0.9 |
|
K .0183 .5 .0378 .5 2.3 |
|
O1 .1101 .0888 .2154 0.8 |
|
O2 .1146 .1727 .7238 0.8 |
|
OH3 .1067 0 .7095 0.8 |
|
O4 .3572 .2502 .7801 0.8 |
|
O5 .3417 .1316 .0951 1.1 |
|
O6 .3377 .1170 .5987 1.1 |
|
O7 .3297 0 .3095 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KNi40 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001576 |
|
10.0492 17.975 5.2661 90 104.904 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2757 .0856 .3023 0.4 |
|
Si2 .2839 .1698 .8038 0.4 |
|
Mg1 0 .0899 .5 .46 0.6 |
|
Ni1 0 .0899 .5 .54 0.6 |
|
Mg2 0 .1790 0 .73 0.6 |
|
Ni2 0 .1790 0 .27 0.6 |
|
Mg3 0 0 0 .37 0.6 |
|
Ni3 0 0 0 .63 0.6 |
|
Na 0 .275 .5 .5 0.9 |
|
Ca 0 .275 .5 .5 0.9 |
|
K .0149 .5 .0303 .5 2.3 |
|
O1 .1074 .0888 .2082 0.8 |
|
O2 .1159 .1713 .7225 0.8 |
|
OH3 .1069 0 .7234 0.8 |
|
O4 .3568 .2475 .7940 0.8 |
|
O5 .3420 .1304 .1028 1.1 |
|
O6 .3413 .1152 .6003 1.1 |
|
O7 .3287 0 .2999 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KNi60 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001577 |
|
10.0436 17.962 5.2633 90 104.936 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2747 .0855 .3048 0.4 |
|
Si2 .2853 .1699 .8048 0.4 |
|
Mg1 0 .0895 .5 .25 0.6 |
|
Ni1 0 .0895 .5 .75 0.6 |
|
Mg2 0 .1788 0 .54 0.6 |
|
Ni2 0 .1788 0 .46 0.6 |
|
Mg3 0 0 0 .2 0.6 |
|
Ni3 0 0 0 .8 0.6 |
|
Na 0 .2748 .5 .5 0.9 |
|
Ca 0 .2748 .5 .5 0.9 |
|
K .0176 .5 .0396 .5 2.3 |
|
O1 .1096 .0885 .2160 0.8 |
|
O2 .1152 .1725 .7228 0.8 |
|
OH3 .1067 0 .7191 0.8 |
|
O4 .3556 .2471 .7892 0.8 |
|
O5 .3426 .1299 .1035 1.1 |
|
O6 .3396 .1159 .5997 1.1 |
|
O7 .3330 0 .3112 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KNi80 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001578 |
|
10.0382 17.954 5.2610 90 104.954 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2723 .0851 .3014 0.4 |
|
Si2 .2871 .1705 .8067 0.4 |
|
Mg1 0 .0899 .5 .1 0.6 |
|
Ni1 0 .0899 .5 .9 0.6 |
|
Mg2 0 .1785 0 .33 0.6 |
|
Ni2 0 .1785 0 .67 0.6 |
|
Mg3 0 0 0 .07 0.6 |
|
Ni3 0 0 0 .93 0.6 |
|
Na 0 .2734 .5 .5 0.9 |
|
Ca 0 .2734 .5 .5 0.9 |
|
K .0227 .5 .0402 .5 2.3 |
|
O1 .1058 .0882 .2131 0.8 |
|
O2 .1184 .1711 .7310 0.8 |
|
OH3 .1045 0 .7150 0.8 |
|
O4 .3590 .2457 .7919 0.8 |
|
O5 .3434 .1310 .1050 1.1 |
|
O6 .3396 .1154 .6011 1.1 |
|
O7 .3322 0 .3046 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KNi100 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001579 |
|
10.0297 17.942 5.2576 90 104.982 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2744 .0852 .3027 0.4 |
|
Si2 .2849 .1708 .8055 0.4 |
|
Ni1 0 .0895 .5 0.6 |
|
Ni2 0 .1784 0 0.6 |
|
Ni3 0 0 0 0.6 |
|
Na 0 .2740 .5 .5 0.9 |
|
Ca 0 .2740 .5 .5 0.9 |
|
K .0231 .5 .0380 .5 2.3 |
|
O1 .1050 .0889 .2124 0.8 |
|
O2 .1169 .1697 .7329 0.8 |
|
OH3 .1071 0 .7132 0.8 |
|
O4 .3593 .2455 .7855 0.8 |
|
O5 .3470 .1333 .1093 1.1 |
|
O6 .3375 .1168 .5993 1.1 |
|
O7 .3336 0 .3137 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KCo20 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001580 |
|
10.0711 18.015 5.2760 90 104.836 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2747 .0855 .3012 0.4 |
|
Si2 .2851 .171 .8022 0.4 |
|
Mg1 0 .0902 .5 .76 0.6 |
|
Co1 0 .0902 .5 .24 0.6 |
|
Mg2 0 .18 0 .86 0.6 |
|
Co2 0 .18 0 .14 0.6 |
|
Mg3 0 0 0 .75 0.6 |
|
Co3 0 0 0 .25 0.6 |
|
Na 0 .2757 .5 .5 0.9 |
|
Ca 0 .2757 .5 .5 0.9 |
|
K .0178 .5 .0321 .5 2.3 |
|
O1 .1083 .0887 .2138 0.8 |
|
O2 .1184 .1721 .7233 0.8 |
|
OH3 .1087 0 .7158 0.8 |
|
O4 .3574 .2485 .7876 0.8 |
|
O5 .3395 .1308 .0965 1.1 |
|
O6 .339 .1162 .5955 1.1 |
|
O7 .3308 0 .3091 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KCo40 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001581 |
|
10.0817 18.021 5.2753 90 104.832 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2763 .0856 .3037 0.4 |
|
Si2 .2846 .1707 .8040 0.4 |
|
Mg1 0 .0907 .5 .55 0.6 |
|
Co1 0 .0907 .5 .45 0.6 |
|
Mg2 0 .1792 0 .71 0.6 |
|
Co2 0 .1792 0 .29 0.6 |
|
Mg3 0 0 0 .5 0.6 |
|
Co3 0 0 0 .5 0.6 |
|
Na 0 .2758 .5 .5 0.9 |
|
Ca 0 .2758 .5 .5 0.9 |
|
K .0189 .5 .0343 .5 2.3 |
|
O1 .1094 .0884 .2062 0.8 |
|
O2 .1178 .1742 .7224 0.8 |
|
OH3 .1059 0 .7106 0.8 |
|
O4 .3574 .2467 .7820 0.8 |
|
O5 .3424 .1315 .1024 1.1 |
|
O6 .3392 .1177 .5954 1.1 |
|
O7 .3302 0 .3072 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KCo60 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001582 |
|
10.0923 18.032 5.2742 90 104.829 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2806 .0867 .3025 0.4 |
|
Si2 .2822 .1714 .8040 0.4 |
|
Mg1 0 .0895 .5 .38 0.6 |
|
Co1 0 .0895 .5 .62 0.6 |
|
Mg2 0 .1797 0 .5 0.6 |
|
Co2 0 .1797 0 .5 0.6 |
|
Mg3 0 0 0 .32 0.6 |
|
Co3 0 0 0 .68 0.6 |
|
Na 0 .2732 .5 .5 0.9 |
|
Ca 0 .2732 .5 .5 0.9 |
|
K .0146 .5 .0572 .5 2.3 |
|
O1 .1130 .0909 .2089 0.8 |
|
O2 .1121 .1735 .7124 0.8 |
|
OH3 .1026 0 .7137 0.8 |
|
O4 .3549 .2470 .7808 0.8 |
|
O5 .3428 .1313 .1006 1.1 |
|
O6 .3413 .1166 .6083 1.1 |
|
O7 .3270 0 .3066 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KCo80 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001583 |
|
10.1065 18.052 5.2743 90 104.844 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2719 .0859 .3010 0.4 |
|
Si2 .2912 .1699 .8074 0.4 |
|
Mg1 0 .092 .5 .21 0.6 |
|
Co1 0 .092 .5 .79 0.6 |
|
Mg2 0 .1805 0 .3 0.6 |
|
Co2 0 .1805 0 .7 0.6 |
|
Mg3 0 0 0 .16 0.6 |
|
Co3 0 0 0 .84 0.6 |
|
Na 0 .2763 .5 .5 0.9 |
|
Ca 0 .2763 .5 .5 0.9 |
|
K .0243 .5 .0240 .5 2.3 |
|
O1 .1067 .0897 .2101 0.8 |
|
O2 .1223 .1737 .7163 0.8 |
|
OH3 .0978 0 .7161 0.8 |
|
O4 .3578 .2448 .7786 0.8 |
|
O5 .3433 .1302 .1037 1.1 |
|
O6 .3414 .115 .5877 1.1 |
|
O7 .3342 0 .3111 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KCo100 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001584 |
|
10.1166 18.066 5.2752 90 104.846 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2726 .0864 .3008 0.4 |
|
Si2 .2912 .1710 .8051 0.4 |
|
Co1 0 .0899 .5 0.6 |
|
Co2 0 .1808 0 0.6 |
|
Co3 0 0 0 0.6 |
|
Na 0 .2742 .5 .5 0.9 |
|
Ca 0 .2742 .5 .5 0.9 |
|
K .0202 .5 .0120 .5 2.3 |
|
O1 .1066 .0890 .2166 0.8 |
|
O2 .1227 .1722 .7199 0.8 |
|
OH3 .1085 0 .7256 0.8 |
|
O4 .3607 .2413 .7867 0.8 |
|
O5 .3427 .1317 .1025 1.1 |
|
O6 .3443 .1133 .5956 1.1 |
|
O7 .3325 0 .3202 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 980-987 |
|
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure |
|
refinement and FTIR and micro-Raman spectroscopic studies of synthetic |
|
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF |
|
Sample Rich58 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001609 |
|
10.0746 18.0337 5.2979 90 104.906 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1113 .0878 .2141 .8 |
|
O2 .1163 .1713 .7245 .8 |
|
O3 .1063 0 .7174 .8 |
|
O4 .3548 .2474 .7939 .8 |
|
O5 .3398 .1293 .098 1.1 |
|
O6 .3363 .1162 .5859 1.1 |
|
OH .3304 0 .3071 1.2 |
|
Si1 .283 .085 .3023 .4 |
|
Si2 .283 .1708 .8091 .85 .4 |
|
Ti .283 .1708 .8091 .15 .4 |
|
Mg1 0 .0897 .5 .6 |
|
Mg2 0 .1797 0 .6 |
|
Mg3 0 0 0 .6 |
|
Na 0 .277 .5 .5 .9 |
|
Ca 0 .277 .5 .5 .9 |
|
K .0179 .5 .0427 .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
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 980-987 |
|
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure |
|
refinement and FTIR and micro-Raman spectroscopic studies of synthetic |
|
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF |
|
Sample Rich59 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001610 |
|
10.0613 18.0314 5.2963 90 104.896 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1134 .0887 .2197 .8 |
|
O2 .1164 .172 .724 .8 |
|
OH .1072 0 .7188 .8 .8 |
|
F .1072 0 .7188 .2 .8 |
|
O4 .3562 .248 .7931 .8 |
|
O5 .3357 .1288 .0945 1.1 |
|
O6 .3387 .1152 .5893 1.1 |
|
O7 .3296 0 .3115 1.2 |
|
Si1 .2766 .0853 .3035 .4 |
|
Si2 .2843 .1712 .8103 .86 .4 |
|
Ti .2843 .1712 .8103 .14 .4 |
|
Mg1 0 .0891 .5 .6 |
|
Mg2 0 .1789 0 .6 |
|
Mg3 0 0 0 .6 |
|
Na 0 .2768 .5 .5 .9 |
|
Ca 0 .2768 .5 .5 .9 |
|
K .0198 .5 .0538 .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
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 980-987 |
|
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure |
|
refinement and FTIR and micro-Raman spectroscopic studies of synthetic |
|
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF |
|
Sample Rich60 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001611 |
|
10.0427 18.0254 5.2922 90 104.875 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1135 .0887 .2173 .8 |
|
O2 .1125 .17 .7254 .8 |
|
OH .1044 0 .7149 .6 .8 |
|
F .1044 0 .7149 .4 .8 |
|
O4 .3545 .2467 .7892 .8 |
|
O5 .3375 .1285 .0953 1.1 |
|
O6 .3375 .1158 .5893 1.1 |
|
O7 .3316 0 .3146 1.2 |
|
Si1 .278 .0857 .2982 .4 |
|
Si2 .2827 .1704 .8111 .88 .4 |
|
Ti .2827 .1704 .8111 .12 .4 |
|
Mg1 0 .0906 .5 .6 |
|
Mg2 0 .1785 0 .6 |
|
Mg3 0 0 0 .6 |
|
Na 0 .2763 .5 .5 .9 |
|
Ca 0 .2763 .5 .5 .9 |
|
K .0252 .5 .0503 .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
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 980-987 |
|
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure |
|
refinement and FTIR and micro-Raman spectroscopic studies of synthetic |
|
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF |
|
Sample Rich61 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001612 |
|
10.0262 18.0194 5.2871 90 104.874 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1118 .0888 .213 .8 |
|
O2 .1153 .17 .7255 .8 |
|
OH .104 0 .7163 .4 .8 |
|
F .104 0 .7163 .6 .8 |
|
O4 .3546 .2472 .792 .8 |
|
O5 .3383 .1281 .0957 1.1 |
|
O6 .3383 .116 .5918 1.1 |
|
O7 .3326 0 .3105 1.2 |
|
Si1 .2772 .0856 .2999 .4 |
|
Si2 .2844 .1706 .8118 .9 .4 |
|
Ti .2844 .1706 .8118 .1 .4 |
|
Mg1 0 .09 .5 .6 |
|
Mg2 0 .1789 0 .6 |
|
Mg3 0 0 0 .6 |
|
Na 0 .2762 .5 .5 .9 |
|
Ca 0 .2762 .5 .5 .9 |
|
K .0263 .5 .0578 .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
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 980-987 |
|
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure |
|
refinement and FTIR and micro-Raman spectroscopic studies of synthetic |
|
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF |
|
Sample Rich62 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001613 |
|
10.0166 18.0189 5.2871 90 104.908 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1104 .0886 .2162 .8 |
|
O2 .1168 .1697 .7248 .8 |
|
OH .1025 0 .7164 .2 .8 |
|
F .1025 0 .7164 .8 .8 |
|
O4 .3563 .247 .7933 .8 |
|
O5 .3361 .1294 .0948 1.1 |
|
O6 .3361 .1166 .5897 1.1 |
|
O7 .334 0 .3196 1.2 |
|
Si1 .2764 .0846 .2985 .4 |
|
Si2 .2815 .1704 .8102 .94 .4 |
|
Ti .2815 .1704 .8102 .06 .4 |
|
Mg1 0 .0903 .5 .6 |
|
Mg2 0 .1796 0 .6 |
|
Mg3 0 0 0 .6 |
|
Na 0 .2757 .5 .5 .9 |
|
Ca 0 .2757 .5 .5 .9 |
|
K .025 .5 .0576 .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
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 980-987 |
|
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure |
|
refinement and FTIR and micro-Raman spectroscopic studies of synthetic |
|
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF |
|
Sample Rich63 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001614 |
|
10.0149 18.0099 5.2862 90 104.954 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1125 .0882 .2203 .8 |
|
O2 .1137 .1701 .7246 .8 |
|
F .1001 0 .7177 .8 |
|
O3 .355 .2482 .7925 .8 |
|
O4 .3367 .1295 .092 1.1 |
|
O5 .3367 .1167 .5938 1.1 |
|
O6 .3329 0 .3141 1.2 |
|
Si1 .2787 .0852 .3036 .4 |
|
Si2 .2832 .1702 .8066 .96 .4 |
|
Ti .2832 .1702 .8066 .04 .4 |
|
Mg1 0 .09 .5 .6 |
|
Mg2 0 .1796 0 .6 |
|
Mg3 0 0 0 .6 |
|
Na 0 .2765 .5 .5 .9 |
|
Ca 0 .2765 .5 .5 .9 |
|
K .0233 .5 .0518 .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
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Mg(100) |
|
_database_code_amcsd 0001875 |
|
9.9076 17.988 5.2706 90 104.252 90 C2/m |
|
atom x y z occ |
|
Si1 .2808 .0853 .2977 |
|
Si2 .2847 .1697 .7973 |
|
Mg1 0 .0892 .5 |
|
Mg2 0 .1772 0 |
|
Mg3 0 0 0 |
|
Ca4 0 .2751 .5 .525 |
|
Na4 0 .2751 .5 .475 |
|
NaA 0 .4791 0 .95 |
|
O1 .1165 .0870 .2234 |
|
O2 .1079 .1695 .7169 |
|
O3 .1066 0 .7120 |
|
O4 .3538 .2493 .7796 |
|
O5 .3433 .1296 .0863 |
|
O6 .3389 .1122 .5966 |
|
O7 .3379 0 .3025 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Ni20 |
|
_database_code_amcsd 0001876 |
|
9.9073 17.978 5.2669 90 104.303 90 C2/m |
|
atom x y z occ |
|
Si1 .2796 .0849 .2940 |
|
Si2 .2852 .1702 .8016 |
|
Mg1 0 .0889 .5 .77 |
|
Ni1 0 .0889 .5 .23 |
|
Mg2 0 .1767 0 .89 |
|
Ni2 0 .1767 0 .11 |
|
Mg3 0 0 0 .70 |
|
Ni3 0 0 0 .30 |
|
Ca4 0 .2757 .5 .545 |
|
Na4 0 .2757 .5 .455 |
|
Na 0 .4835 0 .91 |
|
O1 .1153 .0869 .2171 |
|
O2 .1110 .1698 .7233 |
|
O3 .1108 0 .7075 |
|
O4 .3579 .2480 .7778 |
|
O5 .3428 .1307 .0871 |
|
O6 .3364 .1134 .5925 |
|
O7 .3337 0 .2943 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Ni40 |
|
_database_code_amcsd 0001877 |
|
9.9024 17.965 5.2603 90 104.361 90 C2/m |
|
atom x y z occ |
|
Si1 .2863 .0857 .3002 |
|
Si2 .2815 .1681 .7954 |
|
Mg1 0 .0887 .5 .51 |
|
Ni1 0 .0887 .5 .49 |
|
Mg2 0 .1769 0 .73 |
|
Ni2 0 .1769 0 .27 |
|
Mg3 0 0 0 .48 |
|
Ni3 0 0 0 .52 |
|
Ca4 0 .2749 .5 .56 |
|
Na4 0 .2749 .5 .44 |
|
NaA 0 .4835 0 .88 |
|
O1 .1186 .0886 .2217 |
|
O2 .0992 .1698 .7145 |
|
O3 .1055 0 .7119 |
|
O4 .3533 .2486 .7747 |
|
O5 .3411 .1291 .0805 |
|
O6 .3407 .1111 .5987 |
|
O7 .3379 0 .2912 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Ni60 |
|
_database_code_amcsd 0001878 |
|
9.8956 17.948 5.2567 90 104.413 90 C2/m |
|
atom x y z occ |
|
Si1 .2811 .0857 .2979 |
|
Si2 .2857 .1694 .7990 |
|
Mg1 0 .0885 .5 .30 |
|
Ni1 0 .0885 .5 .70 |
|
Mg2 0 .1777 0 .55 |
|
Ni2 0 .1777 0 .45 |
|
Mg3 0 0 0 .25 |
|
Ni3 0 0 0 .75 |
|
Ca4 0 .2745 .5 .535 |
|
Na4 0 .2745 .5 .465 |
|
NaA 0 .4812 0 .93 |
|
O1 .1132 .0875 .2211 |
|
O2 .1110 .1681 .7229 |
|
O3 .1066 0 .7067 |
|
O4 .3584 .2481 .7739 |
|
O5 .3455 .1300 .0914 |
|
O6 .3435 .1121 .5989 |
|
O7 .3415 0 .3070 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Ni80 |
|
_database_code_amcsd 0001879 |
|
9.8886 17.933 5.2525 90 104.461 90 C2/m |
|
atom x y z occ |
|
Si1 .2790 .0847 .2941 |
|
Si2 .2886 .1696 .8039 |
|
Mg1 0 .0890 .5 .12 |
|
Ni1 0 .0890 .5 .88 |
|
Mg2 0 .1777 0 .32 |
|
Ni2 0 .1777 0 .68 |
|
Mg3 0 0 0 .13 |
|
Ni3 0 0 0 .87 |
|
Ca4 0 .2739 .5 .5 |
|
Na4 0 .2739 .5 .5 |
|
NaA 0 .4770 0 |
|
O1 .1106 .0872 .2138 |
|
O2 .1171 .1683 .7296 |
|
O3 .1055 0 .7129 |
|
O4 .3598 .2467 .7802 |
|
O5 .3459 .1305 .0911 |
|
O6 .3434 .1124 .5925 |
|
O7 .3430 0 .2980 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Ni100 |
|
_database_code_amcsd 0001880 |
|
9.8927 17.926 5.2534 90 104.480 90 C2/m |
|
atom x y z occ |
|
Si1 .2795 .0857 .2978 |
|
Si2 .2879 .1702 .8065 |
|
Ni1 0 .0882 .5 |
|
Ni2 0 .1768 0 |
|
Ni3 0 0 0 |
|
Ca4 0 .2741 .5 .51 |
|
Na4 0 .2741 .5 .49 |
|
NaA 0 .4783 0 |
|
O1 .1111 .0862 .2141 |
|
O2 .1152 .1689 .7272 |
|
O3 .1067 0 .7102 |
|
O4 .3581 .2476 .7772 |
|
O5 .3475 .1307 .1023 |
|
O6 .3400 .1122 .5999 |
|
O7 .3424 0 .3000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Co20 |
|
_database_code_amcsd 0001881 |
|
9.9180 17.999 5.2714 90 104.246 90 C2/m |
|
atom x y z occ |
|
Si1 .2822 .0854 .2953 |
|
Si2 .2821 .1699 .7983 |
|
Mg1 0 .0893 .5 .77 |
|
Co1 0 .0893 .5 .23 |
|
Mg2 0 .1789 0 .80 |
|
Co2 0 .1789 0 .20 |
|
Mg3 0 0 0 .77 |
|
Co3 0 0 0 .23 |
|
Ca4 0 .2742 .5 .55 |
|
Na4 0 .2742 .5 .45 |
|
NaA 0 .4794 0 .91 |
|
O1 .1163 .0879 .2163 |
|
O2 .1057 .1703 .7226 |
|
O3 .1065 0 .7102 |
|
O4 .3554 .2474 .7775 |
|
O5 .3418 .1309 .0828 |
|
O6 .3402 .1132 .5915 |
|
O7 .3397 0 .3037 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Co40 |
|
_database_code_amcsd 0001882 |
|
9.9312 18.015 5.2731 90 104.245 90 C2/m |
|
atom x y z occ |
|
Si1 .2831 .0860 .2973 |
|
Si2 .2831 .1705 .7968 |
|
Mg1 0 .0891 .5 .54 |
|
Co1 0 .0891 .5 .46 |
|
Mg2 0 .1793 0 .62 |
|
Co2 0 .1793 0 .38 |
|
Mg3 0 0 0 .53 |
|
Co3 0 0 0 .47 |
|
Ca4 0 .2738 .5 .55 |
|
Na4 0 .2738 .5 .45 |
|
NaA 0 .4817 0 .88 |
|
O1 .1178 .0893 .2156 |
|
O2 .1089 .1699 .7221 |
|
O3 .1094 0 .7144 |
|
O4 .3584 .2469 .7862 |
|
O5 .3450 .1303 .0837 |
|
O6 .3408 .1143 .5910 |
|
O7 .3400 0 .2826 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Co60 |
|
_database_code_amcsd 0001883 |
|
9.9436 18.029 5.2740 90 104.259 90 C2/m |
|
atom x y z occ |
|
Si1 .2809 .0847 .2937 |
|
Si2 .2882 .1711 .8011 |
|
Mg1 0 .0897 .5 .37 |
|
Co1 0 .0897 .5 .63 |
|
Mg2 0 .1787 0 .44 |
|
Co2 0 .1787 0 .56 |
|
Mg3 0 0 0 .34 |
|
Co3 0 0 0 .66 |
|
Ca4 0 .2745 .5 .55 |
|
Na4 0 .2745 .5 .45 |
|
NaA 0 .4809 0 .93 |
|
O1 .1156 .0894 .2200 |
|
O2 .1146 .1731 .7252 |
|
O3 .1156 0 .7091 |
|
O4 .3627 .2472 .7740 |
|
O5 .3480 .1291 .0880 |
|
O6 .3424 .1136 .5946 |
|
O7 .3455 0 .3062 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Co80 |
|
_database_code_amcsd 0001884 |
|
9.9568 18.049 5.2742 90 104.413 90 C2/m |
|
atom x y z occ |
|
Si1 .2835 .0841 .2896 |
|
Si2 .2866 .1692 .8041 |
|
Mg1 0 .0889 .5 .18 |
|
Co1 0 .0889 .5 .82 |
|
Mg2 0 .1802 0 .28 |
|
Co2 0 .1802 0 .72 |
|
Mg3 0 0 0 .21 |
|
Co3 0 0 0 .79 |
|
Ca4 0 .2740 .5 .5 |
|
Na4 0 .2740 .5 .5 |
|
NaA 0 .4805 0 |
|
O1 .1136 .0872 .2163 |
|
O2 .1157 .1722 .7300 |
|
O3 .1099 0 .7000 |
|
O4 .3573 .2454 .7735 |
|
O5 .3487 .1274 .0918 |
|
O6 .3449 .1134 .5883 |
|
O7 .3467 0 .3055 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Co100 |
|
_database_code_amcsd 0001885 |
|
9.9724 18.069 5.2775 90 104.261 90 C2/m |
|
atom x y z occ |
|
Si1 .2801 .0836 .2885 |
|
Si2 .2906 .1694 .8125 |
|
Co1 0 .0895 .5 |
|
Co2 0 .1797 0 |
|
Co3 0 0 0 |
|
Ca4 0 .2751 .5 .47 |
|
Na4 0 .2751 .5 .53 |
|
NaA 0 .4805 0 |
|
O1 .1121 .0876 .2174 |
|
O2 .1251 .1746 .7253 |
|
O3 .1145 0 .7019 |
|
O4 .3600 .2459 .7746 |
|
O5 .3508 .1290 .0945 |
|
O6 .3428 .1140 .5873 |
|
O7 .3463 0 .3104 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-eckermannite |
| |
Oberti R, Hawthorne F C, Camara F, Raudsepp M |
|
American Mineralogist 84 (1999) 102-111 |
|
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite |
|
composition: Deviations from stoichiometry and structural effects of the |
|
cummingtonite component |
|
Sample: Al, Na.98Na1.10Mg.90Mg4.88Al.12Si8O22F2 |
|
_database_code_amcsd 0002055 |
|
9.668 17.916 5.271 90 102.82 90 C2/m |
|
atom x y z occ Biso |
|
Si(1) .2842 .0848 .2830 .57 |
|
Si(2) .2922 .1706 .7872 .67 |
|
Mg(1) 0 .0887 .5 .69 |
|
Mg(2) 0 .1793 0 .94 .89 |
|
Al(2) 0 .1793 0 .06 .89 |
|
Mg(3) 0 0 0 .66 |
|
Na(4) 0 .2638 .5 .56 1.83 |
|
Mg(4) 0 .2638 .5 .44 1.83 |
|
NaA 0 .5 0 .29 3.11 |
|
NaA(m) .0464 .5 .1122 .35 2.67 |
|
O1 .1143 .0847 .2140 .78 |
|
O2 .1208 .1698 .7216 .86 |
|
F3 .1045 0 .7074 .79 |
|
O4 .3683 .2488 .7836 1.56 |
|
O5 .3505 .1277 .0674 1.80 |
|
O6 .3473 .1194 .5681 2.20 |
|
O7 .3454 0 .2837 1.19 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-eckermannite |
| |
Oberti R, Hawthorne F C, Camara F, Raudsepp M |
|
American Mineralogist 84 (1999) 102-111 |
|
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite |
|
composition: Deviations from stoichiometry and structural effects of the |
|
cummingtonite component |
|
Sample: Sc, Na.92Na1.97Mg.03Mg3.95Sc1.05Si8O22F2 |
|
_database_code_amcsd 0002056 |
|
9.820 18.036 5.290 90 103.64 90 C2/m |
|
atom x y z occ Biso |
|
Si(1) .2827 .0845 .2907 .36 |
|
Si(2) .2883 .1695 .7953 .43 |
|
Mg(1) 0 .0884 .5 .51 |
|
Sc(2) 0 .1815 0 .53 .48 |
|
Mg(2) 0 .1815 0 .47 .48 |
|
Mg(3) 0 0 0 .51 |
|
Na(4) 0 .2760 .5 .97 2.01 |
|
Mg(4) 0 .2760 .5 .03 2.01 |
|
NaA 0 .5 0 .27 2.01 |
|
NaA(m) .0407 .5 .0937 .52 2.33 |
|
NaA(2) 0 .4749 0 .20 3.07 |
|
O1 .1141 .0846 .2160 .47 |
|
O2 .1194 .1659 .7265 .49 |
|
F3 .1012 0 .7097 .59 |
|
O4 .3600 .2483 .7968 .78 |
|
O5 .3490 .1274 .0783 .73 |
|
O6 .3445 .1180 .5789 .72 |
|
O7 .3427 0 .2907 .71 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-eckermannite |
| |
Oberti R, Hawthorne F C, Camara F, Raudsepp M |
|
American Mineralogist 84 (1999) 102-111 |
|
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite |
|
composition: Deviations from stoichiometry and structural effects of the |
|
cummingtonite component |
|
Sample: Ti, Na.85Na1.02Mg.98Mg4.83Ti.17Si8O22F2 |
|
_database_code_amcsd 0002057 |
|
9.691 17.930 5.284 90 102.98 90 C2/m |
|
atom x y z occ Biso |
|
Si(1) .2840 .0848 .2851 .60 |
|
Si(2) .2916 .1707 .7907 .59 |
|
Mg(1) 0 .0887 .5 .59 |
|
Ti(2) 0 .1796 0 .09 .67 |
|
Mg(2) 0 .1796 0 .91 .67 |
|
Mg(3) 0 0 0 .50 |
|
Na(4) 0 .2655 .5 .45 1.96 |
|
Mg(4) 0 .2655 .5 .55 1.96 |
|
NaA 0 .5 0 .27 2.72 |
|
NaA(m) .0462 .5 .1034 .33 2.38 |
|
O1 .1137 .0849 .2136 .55 |
|
O2 .1199 .1692 .7230 .82 |
|
F3 .1037 0 .7080 .78 |
|
O4 .3678 .2489 .7848 1.70 |
|
O5 .3505 .1283 .0718 1.48 |
|
O6 .3467 .1183 .5720 1.76 |
|
O7 .3456 0 .2812 1.07 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-eckermannite |
| |
Oberti R, Hawthorne F C, Camara F, Raudsepp M |
|
American Mineralogist 84 (1999) 102-111 |
|
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite |
|
composition: Deviations from stoichiometry and structural effects of the |
|
cummingtonite component |
|
Sample: V, Na.90Na.92Mg1.08Mg4.98V.02Si8O22F2 |
|
_database_code_amcsd 0002058 |
|
9.655 17.909 5.267 90 102.73 90 C2/m |
|
atom x y z occ Biso |
|
Si(1) .2844 .0848 .2816 .49 |
|
Si(2) .2924 .1706 .7861 .55 |
|
Mg(1) 0 .0887 .5 .64 |
|
V(2) 0 .1792 0 .01 .79 |
|
Mg(2) 0 .1792 0 .99 .79 |
|
Mg(3) 0 0 0 .61 |
|
Mg(4) 0 .2631 .5 .57 1.67 |
|
Na(4) 0 .2631 .5 .43 1.67 |
|
NaA 0 .5 0 .25 2.83 |
|
NaA(m) .0441 .5 .1026 .35 2.54 |
|
O1 .1139 .0847 .2134 .53 |
|
O2 .1207 .1696 .7209 .72 |
|
F3 .1041 0 .7068 .73 |
|
O4 .3689 .2483 .7830 1.45 |
|
O5 .3502 .1279 .0671 1.68 |
|
O6 .3474 .1189 .5678 2.25 |
|
O7 .3456 0 .2829 1.00 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-eckermannite |
| |
Oberti R, Hawthorne F C, Camara F, Raudsepp M |
|
American Mineralogist 84 (1999) 102-111 |
|
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite |
|
composition: Deviations from stoichiometry and structural effects of the |
|
cummingtonite component |
|
Sample: Cr1, Na1.00Na1.97Mg.03Mg4.03Cr.97Si8O22F2 |
|
_database_code_amcsd 0002059 |
|
9.722 17.813 5.282 90 103.69 90 C2/m |
|
atom x y z occ Biso |
|
Si(1) .2834 .0859 .2939 .43 |
|
Si(2) .2898 .1719 .8018 .46 |
|
Mg(1) 0 .0895 .5 .53 |
|
Cr(2) 0 .1782 0 .49 .45 |
|
Mg(2) 0 .1782 0 .51 .45 |
|
Mg(3) 0 0 0 .55 |
|
Mg(4) 0 .2743 .5 .05 1.23 |
|
Na(4) 0 .2743 .5 .95 1.23 |
|
NaA 0 .5 0 .27 1.91 |
|
NaA(m) .0442 .5 .0930 .27 2.13 |
|
NaA(2) 0 .4725 0 .10 2.74 |
|
O1 .1130 .0870 .2134 .62 |
|
O2 .1188 .1678 .7335 .58 |
|
F3 .1041 0 .7068 .80 |
|
O4 .3620 .2512 .7977 .82 |
|
O5 .3527 .1291 .0838 .74 |
|
O6 .3445 .1191 .5844 .73 |
|
O7 .3421 0 .2935 .78 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-eckermannite |
| |
Oberti R, Hawthorne F C, Camara F, Raudsepp M |
|
American Mineralogist 84 (1999) 102-111 |
|
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite |
|
composition: Deviations from stoichiometry and structural effects of the |
|
cummingtonite component |
|
Sample: Cr2, Na1.00Na1.75Mg.25Mg4.25Cr.75Si8O22F2 |
|
_database_code_amcsd 0002060 |
|
9.728 17.825 5.278 90 103.66 90 C2/m |
|
atom x y z occ Biso |
|
Si(1) .2835 .0857 .2924 .37 |
|
Si(2) .2897 .1718 .7999 .37 |
|
Mg(1) 0 .0898 .5 .51 |
|
Cr(2) 0 .1785 0 .38 .34 |
|
Mg(2) 0 .1785 0 .62 .34 |
|
Mg(3) 0 0 0 .38 |
|
Mg(4) 0 .2740 .5 .05 1.35 |
|
Na(4) 0 .2740 .5 .95 1.35 |
|
NaA 0 .5 0 .27 1.99 |
|
NaA(m) .0402 .5 .0946 .09 2.38 |
|
NaA(2) 0 .4743 0 .08 2.22 |
|
Mg(4') 0 .2441 .5 .04 .41 |
|
O1 .1128 .0859 .2136 .52 |
|
O2 .1189 .1678 .7316 .50 |
|
F3 .1029 0 .7091 .62 |
|
O4 .3618 .2510 .7947 .85 |
|
O5 .3522 .1294 .0828 .69 |
|
O6 .3445 .1188 .5826 .75 |
|
O7 .3430 0 .2909 .71 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-eckermannite |
| |
Oberti R, Hawthorne F C, Camara F, Raudsepp M |
|
American Mineralogist 84 (1999) 102-111 |
|
Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite |
|
composition: Deviations from stoichiometry and structural effects of the |
|
cummingtonite component |
|
Sample: Ga, Na.94Na1.07Mg.93Mg4.87Ga.13Si8O22F2 |
|
_database_code_amcsd 0002061 |
|
9.666 17.902 5.272 90 102.84 90 C2/m |
|
atom x y z occ Biso |
|
Si(1) .2844 .0849 .2836 .44 |
|
Si(2) .2921 .1707 .7878 .56 |
|
Mg(1) 0 .0889 .5 .72 |
|
Ga(2) 0 .1798 0 .07 .77 |
|
Mg(2) 0 .1798 0 .93 .77 |
|
Mg(3) 0 0 0 .63 |
|
Mg(4) 0 .2643 .5 .47 1.84 |
|
Na(4) 0 .2643 .5 .53 1.84 |
|
NaA 0 .5 0 .26 2.63 |
|
NaA(m) .0444 .5 .1015 .35 2.78 |
|
O1 .1139 .0850 .2134 .47 |
|
O2 .1204 .1695 .7231 .79 |
|
F3 .1037 0 .7071 .73 |
|
O4 .3683 .2485 .7846 1.38 |
|
O5 .3504 .1284 .0696 1.56 |
|
O6 .3468 .1187 .5708 2.09 |
|
O7 .3456 0 .2838 1.15 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cancrinite |
|
Fechtelkord M, Posnatzki B, Buhl J-C, Fyfe C A, Groat L A, Raudsepp M |
|
American Mineralogist 86 (2001) 881-888 |
|
Characterization of synthetic Cs-Li cancrinite grown in a butanediol-water |
|
system: An NMR spectroscopic and Rietveld refinement study |
|
_database_code_amcsd 0002658 |
|
12.41595 12.41595 4.97019 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Cs 1/3 2/3 .2723 .0316 |
|
Li .169 .3084 .246 .91 .02 |
|
Al .0812 .4090 .75 .002 |
|
Si .3405 .4154 .7757 .002 |
|
O1 .2024 .3831 .6739 .007 |
|
O2 .1311 .5663 .776 .007 |
|
O3 .0491 .3720 .0926 .007 |
|
O4 .3199 .3874 .1100 .007 |
|
OH21 .8909 .0229 .758 .81 .045 |
|
OH22 .0728 .1734 .118 .49 .045 |
|
OH1 0 0 .006 .74 .018 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stichtite |
|
Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
|
Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
|
nature of polytypism in MgCr hydrotalcites |
|
Note: 3R1 polytype of stichtite |
|
Locality: Tasmania, Australia |
|
_database_code_amcsd 0018330 |
|
3.09552 3.09552 23.5042 90 90 120 R-3m |
|
atom x y z occ Biso |
|
Mg 0 0 0 .77 .16 |
|
Cr 0 0 0 .23 .16 |
|
O1 1/3 2/3 .37268 .04 |
|
H1 1/3 2/3 .41108 .04 |
|
Wat2 .1242 -.1242 .5 .102 .02 |
|
CO3 1/3 2/3 .5 .059 .02 |
|
O3 1/3 2/3 .5 .177 .02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stichtite |
|
Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
|
Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
|
nature of polytypism in MgCr hydrotalcites |
|
Note: Sample 84588, 2H1 polytype of stichtite = barbertonite |
|
Locality: Barberton, South Africa |
|
_database_code_amcsd 0018331 |
|
3.09689 3.09689 15.6193 90 90 120 P6_3/mmc |
|
atom x y z occ Biso |
|
Mg 0 0 0 .75 .8 |
|
Cr 0 0 0 .25 .8 |
|
O1 1/3 2/3 .0650 .64 |
|
H1 1/3 2/3 .131 .64 |
|
Wat2 .23 -.23 .25 .204 .64 |
|
CO3 1/3 2/3 .25 .124 .64 |
|
O3 1/3 2/3 .25 .372 .64 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stichtite |
|
Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
|
Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
|
nature of polytypism in MgCr hydrotalcites |
|
Note: Sample 92459, 2H1 polytype of stichtite = barbertonite |
|
Locality: Barberton, South Africa |
|
_database_code_amcsd 0018332 |
|
3.09646 3.09646 15.627 90 90 120 P6_3/mmc |
|
atom x y z occ Biso |
|
Mg 0 0 0 .81 1.62 |
|
Cr 0 0 0 .19 1.62 |
|
O1 1/3 2/3 .0589 1.7 |
|
H1 1/3 2/3 -.007 1.7 |
|
Wat2 .23 -.23 .25 .204 1.7 |
|
CO3 1/3 2/3 .25 .097 1.7 |
|
O3 1/3 2/3 .25 .291 1.7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Barbertonite |
|
Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
|
Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
|
nature of polytypism in MgCr hydrotalcites |
|
Note: Sample 84588, 2H1 polytype of stichtite |
|
Locality: Barberton, South Africa |
|
_database_code_amcsd 0018333 |
|
3.09689 3.09689 15.6193 90 90 120 P6_3/mmc |
|
atom x y z occ Biso |
|
Mg 0 0 0 .75 .8 |
|
Cr 0 0 0 .25 .8 |
|
O1 1/3 2/3 .0650 .64 |
|
H1 1/3 2/3 .131 .64 |
|
Wat2 .23 -.23 .25 .204 .64 |
|
CO3 1/3 2/3 .25 .124 .64 |
|
O3 1/3 2/3 .25 .372 .64 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Barbertonite |
|
Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
|
Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
|
nature of polytypism in MgCr hydrotalcites |
|
Note: Sample 92459, 2H1 polytype of stichtite |
|
Locality: Barberton, South Africa |
|
_database_code_amcsd 0018334 |
|
3.09646 3.09646 15.627 90 90 120 P6_3/mmc |
|
atom x y z occ Biso |
|
Mg 0 0 0 .81 1.62 |
|
Cr 0 0 0 .19 1.62 |
|
O1 1/3 2/3 .0589 1.7 |
|
H1 1/3 2/3 -.007 1.7 |
|
Wat2 .23 -.23 .25 .204 1.7 |
|
CO3 1/3 2/3 .25 .097 1.7 |
|
O3 1/3 2/3 .25 .291 1.7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kuksite |
|
Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M |
| |
American Mineralogist 95 (2010) 933-938 |
|
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, |
|
and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 |
|
Locality: Black Pine mine, NW of Philipsburg, Granite County, Montana, USA |
|
_database_code_amcsd 0005047 |
|
8.392 8.392 5.204 90 90 120 P321 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .40881 0 0 .0295 .0322 .0299 .0255 .01497 .00031 .0006 |
|
Te 0 0 0 .0224 .0254 .0254 .0164 .0127 0 0 |
|
Zn 0 -.2478 .5 .0260 .0232 .0314 .0208 .0116 .0023 .0012 |
|
P 1/3 2/3 .5314 .797 .0261 .0264 .0264 .026 .0132 0 0 |
|
As 1/3 2/3 .5314 .202 .0261 .0264 .0264 .026 .0132 0 0 |
|
O1 -.1224 -.2161 .7878 .036 .038 .040 .027 .017 .005 -.015 |
|
O2 .5251 -.1969 .6560 .056 .037 .067 .026 -.001 .009 -.009 |
|
O3 1/3 2/3 .238 .038 .035 .035 .042 .018 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kuksite |
|
Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M |
| |
American Mineralogist 95 (2010) 933-938 |
|
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, |
|
and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 |
|
Locality: Blue Bell claims, Baker, San Bernardino County, California, USA |
|
_database_code_amcsd 0005048 |
|
8.3942 8.3942 5.1847 90 90 120 P321 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .4087 0 0 .0307 .0316 .0409 .0228 .0205 .0016 .0032 |
|
Te 0 0 0 .0194 .0248 .0248 .0086 .0124 0 0 |
|
Zn 0 -.2509 .5 .0214 .0229 .0249 .0156 .0114 .0011 -.0005 |
|
P 1/3 2/3 .5329 .67 .022 .020 .020 .024 .010 0 0 |
|
As 1/3 2/3 .5329 .33 .022 .020 .020 .024 .010 0 0 |
|
O1 -.1229 -.2174 .7884 .034 .032 .041 .030 .018 -.001 -.007 |
|
O2 .5224 -.2023 .6613 .064 .046 .060 .051 .001 .004 -.006 |
|
O3 1/3 2/3 .2456 .038 .039 .039 .035 .020 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Yafsoanite |
|
Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M |
| |
American Mineralogist 95 (2010) 933-938 |
|
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, |
|
and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 |
|
Locality: Delbe orebody, Aldan Shield, Saha Republic, Russia |
|
_database_code_amcsd 0005049 |
|
12.6350 12.6350 12.6350 90 90 90 Ia3d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .25 .125 .912 .0179 .0160 .0160 .0217 .0034 0 0 |
|
Pb 0 .25 .125 .088 .0179 .0160 .0160 .0217 .0034 0 0 |
|
Te 0 0 0 .0097 .0097 .0097 .0097 .0007 .0007 .0007 |
|
Zn 0 .25 .375 .957 .0131 .0141 .0141 .0111 0 0 0 |
|
O -.0273 .0489 .1419 .0149 .012 .017 .016 .000 .003 -.001 |
|
|
| 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 |
|
9.821 17.934 5.282 90 105.08 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiT1 .28176 .08479 .3025 .81 .0078 .0084 .0080 -.0003 .0014 -.0002 |
|
SiT2 .29057 .17251 .8113 .0066 .0079 .0067 -.0003 .0014 .0002 |
|
Mg1 0 .08902 .5 .0075 .0069 .0056 0 .0020 0 |
|
AlM2 0 .17547 0 .18 .0061 .0070 .0062 0 .0019 0 |
|
MgM2 0 .17547 0 .82 .0061 .0070 .0062 0 .0019 0 |
|
Mg3 0 0 0 .0068 .0057 .0068 0 .0007 0 |
|
Ca4 0 .27854 .5 .0134 .0110 .0120 0 .0067 0 |
|
NaAm .0415 .5 .0953 .24 .02 |
|
NaA2 0 .4765 0 .25 .02 |
|
O1 .1084 .0860 .2182 .0081 .0122 .0089 -.0013 .0024 -.0013 |
|
O2 .1191 .1714 .7312 .0083 .0090 .0091 .0002 .0012 .0007 |
|
F3 .1044 0 .7133 .0106 .0110 .0111 0 .0040 0 |
|
O4 .3656 .2504 .7884 .0140 .0094 .0119 -.0026 .0046 -.0003 |
|
O5 .3511 .1391 .1108 .0111 .0157 .0107 -.0007 .0013 .0043 |
|
O6 .3462 .1164 .6075 .0102 .0158 .0136 .0013 .0028 -.0052 |
|
O7 .3448 0 .2784 .0117 .0107 .0174 0 .0056 0 |
|
|
| 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 |
|
Sample: FP1 [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2] |
|
Locality: Synthetic |
|
_database_code_amcsd 0005425 |
|
9.820 17.896 5.294 90 105.30 90 C2/m |
|
atom x y z occ Biso |
|
SiT1 .2821 .0854 .3043 .525 .44 |
|
AlT1 .2821 .0854 .3043 .475 .44 |
|
SiT2 .2913 .1733 .8147 .978 .48 |
|
AlT2 .2913 .1733 .8147 .022 .48 |
|
MgM1 0 .0894 .5 .51 |
|
AlM2 0 .1754 0 .387 .50 |
|
MgM2 0 .1754 0 .613 .50 |
|
MgM3 0 0 0 .47 |
|
CaM4 0 .2794 .5 .48 .74 |
|
MgM4 0 .2794 .5 .02 .74 |
|
CaM4' 0 .2536 .5 .48 .89 |
|
MgM4' 0 .2536 .5 .02 .89 |
|
NaA 0 .5 0 .17 4.04 |
|
CaA 0 .5 0 .04 4.04 |
|
NaA(m) .0401 .5 .0944 .17 2.85 |
|
CaA(m) .0401 .5 .0944 .04 2.85 |
|
NaA(2) 0 .4713 0 .17 2.00 |
|
CaA(2) 0 .4713 0 .04 2.00 |
|
O1 .1069 .0871 .2167 .71 |
|
O2 .1185 .1722 .7357 .69 |
|
F3 .1044 0 .7123 .77 |
|
O4 .3670 .2517 .7898 .89 |
|
O5 .3527 .1406 .1146 .95 |
|
O6 .3460 .1167 .6112 .98 |
|
O7 .3446 0 .2771 1.01 |
|
|
| 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 |
|
Sample FP2 [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2] |
|
Locality: Synthetic |
|
_database_code_amcsd 0005426 |
|
9.808 17.868 5.297 90 105.30 90 C2/m |
|
atom x y z occ Biso |
|
SiT1 .2821 .0856 .3049 .5 .44 |
|
AlT1 .2821 .0856 .3049 .5 .44 |
|
SiT2 .2917 .1736 .8163 .97 .49 |
|
AlT2 .2917 .1736 .8163 .03 .49 |
|
MgM1 0 .0897 .5 .50 |
|
AlM2 0 .1754 0 .469 .54 |
|
MgM2 0 .1754 0 .531 .54 |
|
MgM3 0 0 0 .48 |
|
FeM4 0 .2797 .5 .70 |
|
MgM4 0 .2797 .5 .70 |
|
CaM4 0 .2797 .5 .70 |
|
MgM4' 0 .2587 .5 1.17 |
|
NaA 0 .5 0 .16 3.67 |
|
CaA 0 .5 0 .04 3.67 |
|
NaA(m) .0432 .5 .0958 .16 2.69 |
|
CaA(m) .0432 .5 .0958 .04 2.69 |
|
NaA(2) 0 .4713 0 .16 1.33 |
|
CaA(2) 0 .4713 0 .04 1.33 |
|
O1 .1064 .0879 .2155 .71 |
|
O2 .1183 .1726 .7377 .69 |
|
F3 .1044 0 .7120 .73 |
|
O4 .3678 .2523 .7904 .91 |
|
O5 .3536 .1414 .1168 .95 |
|
O6 .3456 .1165 .6134 .98 |
|
O7 .3442 0 .2762 1.03 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-magnesio-aluminokatophorite |
| |
Oberti R, Hawthorne F C, Camara F, Raudsepp M |
|
The Canadian Mineralogist 36 (1998) 1245-1252 |
|
Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive |
|
effects on mean bond-lengths of octahedra |
|
Sample: A1 |
|
_database_code_amcsd 0005568 |
|
9.845 18.010 5.275 90 104.74 90 C2/m |
|
atom x y z occ Biso |
|
SiT1 .2816 .0841 .2990 .93 .36 |
|
AlT1 .2816 .0841 .2990 .07 .36 |
|
SiT2 .2890 .1714 .8057 .93 .42 |
|
AlT2 .2890 .1714 .8057 .07 .42 |
|
Mg1 0 .0886 .5 .45 |
|
Mg2 0 .1765 0 .48 |
|
Mg3 0 0 0 .50 |
|
NaM4 0 .2775 .5 .13 .78 |
|
CaM4 0 .2775 .5 .84 .78 |
|
MgM4 0 .2775 .5 .03 .78 |
|
NaA 0 .5 0 .10 1.35 |
|
NaAm .0421 .5 .0979 .47 2.93 |
|
NaA2 0 .4727 0 .25 3.07 |
|
O1 .1116 .0846 .2193 .45 |
|
O2 .1188 .1698 .7266 .54 |
|
F3 .1034 0 .7128 .74 |
|
O4 .3640 .2488 .7901 .73 |
|
O5 .3489 .1351 .1009 .85 |
|
O6 .3456 .1173 .5962 .78 |
|
O7 .3436 0 .2871 .79 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-magnesio-aluminokatophorite |
| |
Oberti R, Hawthorne F C, Camara F, Raudsepp M |
|
The Canadian Mineralogist 36 (1998) 1245-1252 |
|
Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive |
|
effects on mean bond-lengths of octahedra |
|
Sample: A2, Sc-substituted |
|
_database_code_amcsd 0005569 |
|
9.853 18.061 5.295 90 104.49 90 C2/m |
|
atom x y z occ Biso |
|
SiT1 .2826 .0843 .2969 .90 .40 |
|
AlT1 .2826 .0843 .2969 .10 .40 |
|
SiT2 .2891 .1704 .8026 .90 .46 |
|
AlT2 .2891 .1704 .8026 .10 .46 |
|
MgM1 0 .0883 .5 .83 .49 |
|
ScM1 0 .0883 .5 .17 .49 |
|
MgM2 0 .1787 0 .83 .59 |
|
ScM2 0 .1787 0 .17 .59 |
|
MgM3 0 0 0 .83 .49 |
|
ScM3 0 0 0 .17 .49 |
|
NaM4 0 .2781 .5 .51 1.14 |
|
CaM4 0 .2781 .5 .49 1.14 |
|
NaA 0 .5 0 .16 2.01 |
|
NaAm .0437 .5 .1012 .50 2.59 |
|
NaA2 0 .4730 0 .29 3.10 |
|
O1 .1118 .0848 .2184 .51 |
|
O2 .1193 .1683 .7268 .58 |
|
F3 .1023 0 .7124 .72 |
|
O4 .3621 .2486 .7927 .80 |
|
O5 .3490 .1328 .0939 1.00 |
|
O6 .3455 .1172 .5925 .85 |
|
O7 .3437 0 .2859 .92 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-magnesio-aluminokatophorite |
| |
Oberti R, Hawthorne F C, Camara F, Raudsepp M |
|
The Canadian Mineralogist 36 (1998) 1245-1252 |
|
Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive |
|
effects on mean bond-lengths of octahedra |
|
Sample: A3, Ga-substituted |
|
_database_code_amcsd 0005570 |
|
9.866 17.998 5.285 90 104.93 90 C2/m |
|
atom x y z occ Biso |
|
SiT1 .2820 .0844 .3019 .88 .47 |
|
AlT1 .2820 .0844 .3019 .06 .47 |
|
GaT1 .2820 .0844 .3019 .06 .47 |
|
SiT2 .2894 .1720 .8087 .88 .48 |
|
AlT2 .2894 .1720 .8087 .06 .48 |
|
GaT2 .2894 .1720 .8087 .06 .48 |
|
MgM1 0 .0889 .5 .95 .43 |
|
AlM1 0 .0889 .5 .01 .43 |
|
GaM1 0 .0889 .5 .04 .43 |
|
MgM2 0 .1765 0 .95 .57 |
|
AlM2 0 .1765 0 .01 .57 |
|
GaM2 0 .1765 0 .04 .57 |
|
MgM3 0 0 0 .95 .46 |
|
AlM3 0 0 0 .01 .46 |
|
GaM3 0 0 0 .04 .46 |
|
NaM4 0 .2781 .5 .11 .78 |
|
CaM4 0 .2781 .5 .86 .78 |
|
MgM4 0 .2781 .5 .03 .78 |
|
NaA 0 .5 0 .10 1.94 |
|
NaAm .0373 .5 .0936 .51 1.96 |
|
NaA2 0 .4739 0 .33 2.10 |
|
O1 .1107 .0850 .2195 .56 |
|
O2 .1194 .1704 .7287 .56 |
|
F3 .1039 0 .7133 .68 |
|
O4 .3640 .2496 .7883 .84 |
|
O5 .3490 .1370 .1052 1.12 |
|
O6 .3457 .1166 .6016 .97 |
|
O7 .3440 0 .2814 1.05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pargasite |
|
Oberti R, Hawthorne F C, Camara F, Raudsepp M |
|
The Canadian Mineralogist 36 (1998) 1245-1252 |
|
Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive |
|
effects on mean bond-lengths of octahedra |
|
Sample: A4 |
|
_database_code_amcsd 0005571 |
|
9.850 17.934 5.301 90 105.32 90 C2/m |
|
atom x y z occ Biso |
|
SiT1 .2824 .0851 .3054 .75 .42 |
|
AlT1 .2824 .0851 .3054 .18 .42 |
|
GaT1 .2824 .0851 .3054 .07 .42 |
|
SiT2 .2911 .1733 .8153 .75 .51 |
|
AlT2 .2911 .1733 .8153 .18 .51 |
|
GaT2 .2911 .1733 .8153 .07 .51 |
|
MgM1 0 .0892 .5 .82 .44 |
|
AlM1 0 .0892 .5 .09 .44 |
|
GaM1 0 .0892 .5 .09 .44 |
|
MgM2 0 .1757 0 .82 .44 |
|
AlM2 0 .1757 0 .09 .44 |
|
GaM2 0 .1757 0 .09 .44 |
|
MgM3 0 0 0 .82 .41 |
|
AlM3 0 0 0 .09 .41 |
|
GaM3 0 0 0 .09 .41 |
|
CaM4 0 .2794 .5 .76 |
|
NaA 0 .5 0 .10 2.19 |
|
CaA 0 .5 0 .01 2.19 |
|
NaAm .0398 .5 .0914 .38 2.35 |
|
CaAm .0398 .5 .0914 .05 2.35 |
|
NaA2 0 .4717 0 .38 2.07 |
|
CaA2 0 .4717 0 .05 2.07 |
|
O1 .1072 .0868 .2177 .66 |
|
O2 .1185 .1718 .7345 .62 |
|
F3 .1035 0 .7127 .77 |
|
O4 .3668 .2514 .7879 .86 |
|
O5 .3522 .1409 .1160 1.02 |
|
O6 .3463 .1161 .6131 1.04 |
|
O7 .3451 0 .2766 1.05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cobaltarthurite |
| |
Raudsepp M, Pani E |
|
The Canadian Mineralogist 40 (2002) 733-737 |
|
The crystal structure of cobaltarthurite, CoFe2(AsO4)2(OH)2.4H2O: |
|
A Rietveld refinement |
|
_database_code_amcsd 0005772 |
|
10.2694 9.6790 5.5723 90 94.277 90 P2_1/c |
|
atom x y z occ Biso |
|
CoM(2) 0 0 0 .59 .72 |
|
MgM(2) 0 0 0 .27 .72 |
|
MnM(2) 0 0 0 .08 .72 |
|
NiM(2) 0 0 0 .02 .72 |
|
CuM(2) 0 0 0 .02 .72 |
|
CaM(2) 0 0 0 .02 .72 |
|
FeM(1) .4554 .1357 .3405 .34 |
|
AsT .2968 .4293 .3279 .99 .35 |
|
PT .2968 .4293 .3279 .005 .35 |
|
ST .2968 .4293 .3279 .005 .35 |
|
O(1) .397 .488 .118 .59 |
|
O(2) .360 .491 .594 .63 |
|
O(3) .148 .494 .240 .87 |
|
O(4) .303 .253 .323 .66 |
|
OH .540 .228 .080 .61 |
|
OW(1) .126 .909 .296 1.34 |
|
OW(2) .050 .190 .150 1.46 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bariopharmacosiderite |
| |
Hager S L, Leverett P, Williams P A, Mills S J, |
|
Hibbs D E, Raudsepp M, Kampf A R, Birch W D |
| |
The Canadian Mineralogist 48 (2010) 1477-1485 |
|
The single-crystal X-ray structures of bariopharmacosiderite-C, |
|
bariopharmacosiderite-Q and natropharmacosiderite |
|
Note: sample Bariopharmacosiderite-Q |
|
Locality: Sunny Corner mine, Sunny Corner, New South Wales, Australia |
|
7.947 7.947 8.049 90 90 90 P-42m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .5 .5 0 .50 .0330 .033 .033 .033 0 0 0 |
|
Fe .1422 .1422 .1437 .0078 .0064 .0064 .0110 -.0004 -.0004 -.0004 |
|
Oh2 .8858 .8858 .8868 .011 .014 .014 .007 -.001 -.001 -.001 |
|
As1 0 0 .5 .0112 .0110 .0110 .012 0 0 0 |
|
As2 .5 0 0 .0148 .0077 .019 .0175 0 0 0 |
|
O1A .1248 .1248 .3830 .016 .016 .016 .015 -.002 .000 .000 |
|
O1B .1252 .3855 .1214 .012 .014 .004 .016 -.002 -.004 .002 |
|
H .828 .828 .821 .020 |
|
Wat1A .333 .333 .740 .50 .017 |
|
Wat1B .326 .255 .673 .145 .015 |
|
Wat2A .5 0 .5 .70 .020 |
|
Wat2B .160 .5 .5 .30 .022 |
|
Wat2C .5 .5 .129 .20 .016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bariopharmacosiderite |
| |
Hager S L, Leverett P, Williams P A, Mills S J, |
|
Hibbs D E, Raudsepp M, Kampf A R, Birch W D |
| |
The Canadian Mineralogist 48 (2010) 1477-1485 |
|
The single-crystal X-ray structures of bariopharmacosiderite-C, |
|
bariopharmacosiderite-Q and natropharmacosiderite |
|
Note: sample Bariopharmacosiderite-C |
|
Locality: Robinson's Reef, Clunes, Victoria, Australia |
|
7.942 7.942 7.942 90 90 90 P-43m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
BaBa 0 .5 .5 .156 .016 |
|
KBa 0 .5 .5 .013 .016 |
|
NaBa 0 .5 .5 .007 .016 |
|
FeFe .1431 .1431 .1431 .99 .016 .016 .016 .016 -.0018 -.0018 -.0018 |
|
AlFe .1431 .1431 .1431 .01 .016 .016 .016 .016 -.0018 -.0018 -.0018 |
|
Oh2 .888 .888 .888 .010 .010 .010 .010 .000 .000 .000 |
|
AsAs .5 0 0 .72 .019 .008 .025 .025 0 0 0 |
|
PAs .5 0 0 .28 .019 .008 .025 .025 0 0 0 |
|
O1 .124 .387 .124 .031 .029 .036 .036 .003 .003 .005 |
|
H .831 .831 .831 .014 |
|
Wat1 .688 .688 .688 .18 .03 |
|
Wat2 .198 .5 .5 .3 .03 |
|
|
| 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
selecting the datasets and then hitting the "Download Selected Data" button.
