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Titanite |
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Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E |
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American Mineralogist 82 (1997) 512-516 |
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Incorporation of rare earth elements in titanite: Stabilization of the A2/a |
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dimorph by creation of antiphase boundaries |
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Sample: natural |
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_database_code_amcsd 0001898 |
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7.0425 8.7155 6.5376 90 113.629 90 A2/a |
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atom x y z Biso |
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Ti .5 0 .5 .75 |
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Ca .25 .16684 0 1.54 |
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Si .75 .1828 0 .67 |
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O1 .75 .0744 .5 .88 |
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O2 .9127 .0667 .1834 1.10 |
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O3 .3798 .2105 .3949 1.03 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Titanite |
|
Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E |
|
American Mineralogist 82 (1997) 512-516 |
|
Incorporation of rare earth elements in titanite: Stabilization of the A2/a |
|
dimorph by creation of antiphase boundaries |
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Sample: La-Al |
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_database_code_amcsd 0001899 |
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7.0348 8.7119 6.5498 90 113.712 90 A2/a |
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atom x y z Biso |
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Ti .5 0 .5 .693 |
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Ca .25 .16868 0 1.058 |
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Si .75 .18262 0 .417 |
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O1 .75 .0698 .5 .69 |
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O2 .9114 .0661 .1853 .77 |
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O3 .3827 .2108 .3970 .68 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Titanite |
|
Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E |
|
American Mineralogist 82 (1997) 512-516 |
|
Incorporation of rare earth elements in titanite: Stabilization of the A2/a |
|
dimorph by creation of antiphase boundaries |
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Sample: Dy-Al |
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_database_code_amcsd 0001900 |
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7.0280 8.7025 6.5434 90 113.6813 90 A2/a |
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atom x y z Biso |
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Ti .5 0 .5 .64 |
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Ca .25 .16922 0 1.01 |
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Si .75 .1824 0 .58 |
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O1 .75 .0705 .5 .91 |
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O2 .9112 .0663 .1846 .86 |
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O3 .3817 .2107 .3971 .79 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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| |
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Titanite |
|
Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E |
|
American Mineralogist 82 (1997) 512-516 |
|
Incorporation of rare earth elements in titanite: Stabilization of the A2/a |
|
dimorph by creation of antiphase boundaries |
|
Sample: Dy-Al |
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_database_code_amcsd 0001901 |
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7.057 8.710 6.555 90 113.84 90 P2_1/a |
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atom x y z Biso |
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Ti .50870 .7526 .2496 .54 |
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Ca .2451 .91831 .7504 .97 |
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Si .7497 .9328 .7503 .21 |
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O1 .7487 .8209 .2482 .55 |
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O2 .9106 .8172 .9355 .51 |
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O3 .3830 .9599 .1461 .49 |
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O4 .9113 .3155 .4355 .57 |
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O5 .3819 .4615 .6486 .53 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Zircon |
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Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
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American Mineralogist 86 (2001) 681-689 |
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Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
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X-ray study of xenotime substitution |
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Sample: pure zircon #38 |
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_database_code_amcsd 0002643 |
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6.6102 6.6102 5.986 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 .75 5/8 |
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Zr 0 .75 1/8 |
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O 0 .0657 .1961 .010 .006 .003 0 0 .000 |
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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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Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
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Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
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X-ray study of xenotime substitution |
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Sample: Dy (15) |
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_database_code_amcsd 0002644 |
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6.6139 6.6139 5.985 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 .75 5/8 |
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Zr 0 .75 1/8 |
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O 0 .0658 .1954 .012 .009 .008 0 0 .000 |
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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
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
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Sample: Dy (12) |
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_database_code_amcsd 0002645 |
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6.6175 6.6175 5.989 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 .75 5/8 |
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Zr 0 .75 1/8 |
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O 0 .0658 .1955 .011 .007 .007 0 0 .000 |
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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
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
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Sample: Sm+P (28) |
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_database_code_amcsd 0002646 |
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6.6119 6.6119 5.983 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 .75 5/8 |
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Zr 0 .75 1/8 |
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O 0 .0658 .1953 .009 .006 .006 0 0 .000 |
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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
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
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Sample: Gd+P (30) |
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_database_code_amcsd 0002647 |
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6.6213 6.6213 5.9879 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 .75 5/8 |
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Zr 0 .75 1/8 |
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O 0 .0660 .1959 .008 .006 .005 0 0 .000 |
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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
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
|
Sample: Dy+P (33) |
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_database_code_amcsd 0002648 |
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6.626 6.626 5.986 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 .75 5/8 |
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Zr 0 .75 1/8 |
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O 0 .0664 .1963 .008 .005 .005 0 0 .000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
|
Sample: Er+P (36) |
|
_database_code_amcsd 0002649 |
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6.6355 6.6355 5.989 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 .75 5/8 |
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Zr 0 .75 1/8 |
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O 0 .0663 .1964 .010 .007 .006 0 0 .000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
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Sample: Yb+P (40) |
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_database_code_amcsd 0002650 |
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6.6265 6.6265 5.979 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 .75 5/8 |
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Zr 0 .75 1/8 |
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O 0 .0664 .1965 .009 .006 .006 0 0 .000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
|
Sample: Y+P (43) |
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_database_code_amcsd 0002651 |
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6.6329 6.6329 5.986 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 .75 5/8 |
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Zr 0 .75 1/8 |
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O 0 .0663 .1964 .008 .007 .006 0 0 .000 |
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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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Masuyite |
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Burns P C, Hanchar J M |
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The Canadian Mineralogist 37 (1999) 1483-1491 |
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The structure of masuyite, Pb[(UO2)3O3(OH)2](H2O)3, |
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and its relationship to protasite |
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_database_code_amcsd 0005638 |
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12.241 7.008 6.983 90 90.402 90 Pn |
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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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U1 .9988 .0185 .0024 .0160 .0136 .0290 .0053 .0035 -.0033 -.0035 |
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U2 .1797 .0180 .5419 .0164 .0059 .0247 .0185 .0055 .0010 .0014 |
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U3 .8802 .0122 .4836 .0180 .0116 .0262 .0163 .0027 .0020 -.0022 |
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Pb1 .0254 .4960 .6625 .93 .0328 .0331 .0300 .0352 .0009 .0008 .0036 |
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Pb2 .853 .509 .192 .12 .0415 |
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O1 .994 .283 .029 .0416 |
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O2 .008 .767 .957 .0377 |
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O3 .196 .270 .496 .0342 |
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O4 .162 .763 .610 .0360 |
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O5 .868 .271 .451 .0316 |
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O6 .895 .756 .536 .0361 |
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O7 .018 .086 .681 .0370 |
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O8 .041 .974 .302 .0648 |
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O9 .847 .984 .174 .0101 |
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OH10 .194 .053 .924 .0329 |
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OH11 .812 .065 .787 .0403 |
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Wat12 .802 .485 .832 .0536 |
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Wat13 .190 .482 .938 .0160 |
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Wat14 .061 .525 .296 .0204 |
|
|
| 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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