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Srilankite |
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Troitzsch U, Christy A G, Ellis D J |
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Physics and Chemistry of Minerals 32 (2005) 504-514 |
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The crystal structure of disordered (Zr,Ti)O2 solid solution |
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Sample: XTi = 0.425 |
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_database_code_amcsd 0008983 |
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4.8495 5.4635 5.0462 90 90 90 Pbcn |
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atom x y z occ |
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ZrM 0 .2015 .25 .575 |
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TiM 0 .2015 .25 .425 |
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O .270 .399 .429 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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|
Srilankite |
|
Troitzsch U, Christy A G, Ellis D J |
| |
Physics and Chemistry of Minerals 32 (2005) 504-514 |
|
The crystal structure of disordered (Zr,Ti)O2 solid solution |
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Sample: XTi = 0.450 |
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_database_code_amcsd 0008984 |
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4.8349 5.4801 5.0439 90 90 90 Pbcn |
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atom x y z occ |
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ZrM 0 .2011 .25 .550 |
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TiM 0 .2011 .25 .450 |
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O .269 .400 .434 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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|
Srilankite |
|
Troitzsch U, Christy A G, Ellis D J |
| |
Physics and Chemistry of Minerals 32 (2005) 504-514 |
|
The crystal structure of disordered (Zr,Ti)O2 solid solution |
|
Sample: XTi = 0.500 |
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_database_code_amcsd 0008985 |
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4.8069 5.4785 5.0339 90 90 90 Pbcn |
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atom x y z occ |
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ZrM 0 .1992 .25 .500 |
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TiM 0 .1992 .25 .500 |
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O .271 .398 .432 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Srilankite |
|
Troitzsch U, Christy A G, Ellis D J |
| |
Physics and Chemistry of Minerals 32 (2005) 504-514 |
|
The crystal structure of disordered (Zr,Ti)O2 solid solution |
|
Sample: XTi = 0.548 |
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_database_code_amcsd 0008986 |
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4.7762 5.5010 5.0253 90 90 90 Pbcn |
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atom x y z occ |
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ZrM 0 .1947 .25 .452 |
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TiM 0 .1947 .25 .548 |
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O .268 .401 .429 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Srilankite |
|
Troitzsch U, Christy A G, Ellis D J |
| |
Physics and Chemistry of Minerals 32 (2005) 504-514 |
|
The crystal structure of disordered (Zr,Ti)O2 solid solution |
|
Sample: XTi = 0.600 |
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_database_code_amcsd 0008987 |
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4.7447 5.4925 5.0119 90 90 90 Pbcn |
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atom x y z occ |
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ZrM 0 .1949 .25 .400 |
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TiM 0 .1949 .25 .600 |
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O .270 .393 .428 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Srilankite |
|
Troitzsch U, Christy A G, Ellis D J |
| |
Physics and Chemistry of Minerals 32 (2005) 504-514 |
|
The crystal structure of disordered (Zr,Ti)O2 solid solution |
|
Sample: XTi = 0.650 |
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_database_code_amcsd 0008988 |
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4.7200 5.5078 5.0018 90 90 90 Pbcn |
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atom x y z occ |
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ZrM 0 .1905 .25 .350 |
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TiM 0 .1905 .25 .650 |
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O .273 .395 .431 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Srilankite |
|
Troitzsch U, Christy A G, Ellis D J |
| |
Physics and Chemistry of Minerals 32 (2005) 504-514 |
|
The crystal structure of disordered (Zr,Ti)O2 solid solution |
|
Sample: XTi = 0.666 |
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_database_code_amcsd 0008989 |
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4.7112 5.4944 4.9962 90 90 90 Pbcn |
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atom x y z occ |
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ZrM 0 .1915 .25 .334 |
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TiM 0 .1915 .25 .666 |
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O .270 .389 .430 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Kapundaite |
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Mills S J, Birch W D, Kampf A R, Christy A G, Pluth J J, Pring A, |
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Raudsepp M, Chen Y S |
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American Mineralogist 95 (2010) 754-760 |
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Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3·5H2O, a new phosphate species from |
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Toms quarry, South Australia: Description and structural |
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relationship to melonjosephite |
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Locality: Toms quarry, South Australia |
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_database_code_amcsd 0018799 |
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6.317 7.698 9.768 105.53 99.24 90.09 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na .439 .7184 .4298 .67 .056 .12 .016 .028 .004 .009 .008 |
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Ca .439 .7184 .4298 .33 .056 .12 .016 .028 .004 .009 .008 |
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Fe1 .5 0 0 .013 .02 .018 .004 -.009 .002 .003 |
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Fe2 0 0 0 .017 .03 .017 .003 .003 .002 .004 |
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Fe3 .7976 .6972 .1730 .024 .02 .016 .033 -.003 .010 .003 |
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P1 .177 .8785 .7118 .015 .01 .013 .026 .005 .009 .005 |
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P2 .278 .6868 .1002 .021 .02 .012 .033 .002 .006 .010 |
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O1 .832 .940 .323 .021 .02 .020 .024 -.010 -.003 .008 |
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O2 .157 .723 .572 .023 .03 .015 .028 .001 .014 -.001 |
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O3 .011 .143 .204 .034 .06 .019 .029 .002 .018 .007 |
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O4 .414 .861 .802 .046 .09 .019 .026 -.025 -.007 .004 |
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O5 .482 .686 .191 .019 |
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O6 .114 .683 .195 .020 |
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O7 .771 .463 .038 .024 |
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O8 .262 .871 .059 .017 .01 .018 .031 .002 .009 .012 |
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OH .242 .165 .976 .027 .03 .029 .027 -.013 -.003 .013 |
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Wat1 .831 .611 .372 .035 .07 .024 .023 .002 .007 .019 |
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Wat2 .351 .394 .349 .05 .08 .044 .036 -.02 .005 .004 |
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Wat3 .669 .979 .584 .06 .11 .011 .054 .02 .005 .013 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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