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Clarkeite |
 |
Finch R J, Ewing R C |
 |
American Mineralogist 82 (1997) 607-619 |
|
Clarkeite: New chemical and structural data |
|
_database_code_amcsd 0001902 |
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3.954 3.954 17.660 90 90 120 R-3m |
|
atom x y z Biso |
|
U 0 0 0 .29 |
|
Na 0 0 .5 .54 |
|
O1 0 0 .1069 .42 |
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O2 0 0 .3488 .42 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Wyartite |
|
Burns P C, Finch R J |
|
American Mineralogist 84 (1999) 1456-1460 |
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Wyartite: Crystallographic evidence for the first pentavalent-uranium mineral |
|
_database_code_amcsd 0002316 |
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11.2706 7.1055 20.807 90 90 90 P2_12_12_1 |
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atom x y z Uiso |
|
U1 .5595 .2892 .23948 .0113 |
|
U2 -.0593 .2897 .23585 .0109 |
|
U3 .2490 .2919 .28343 .0117 |
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Ca -.0734 .4322 .0469 .0232 |
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C .241 .240 .423 .0320 |
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O1 .511 .310 .154 .0197 |
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O2 -.011 .314 .156 .0206 |
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O3 .110 .109 .2515 .0062 |
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O4 .388 .105 .267 .0182 |
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O5 .610 .282 .3205 .0050 |
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O6 -.112 .240 .316 .0281 |
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O7 .100 .463 .278 .0152 |
|
O8 .390 .474 .272 .0158 |
|
O9 .187 .126 .380 .0373 |
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O10 .224 .211 .4817 .0034 |
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O11 .286 .384 .3966 .0034 |
|
OH12 .752 .285 .1980 .0156 |
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Wat13 -.252 .235 .0522 .0367 |
|
Wat14 .254 .363 .1670 .0308 |
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Wat15 .459 .028 .0668 .0358 |
|
Wat16 .093 .629 .053 .0161 |
|
Wat17 .045 .159 .016 .0084 |
|
Wat18 .209 .036 .103 .0091 |
|
Wat19 -.079 -.082 -.058 .0254 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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: pure zircon #38 |
|
_database_code_amcsd 0002643 |
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6.6102 6.6102 5.986 90 90 90 *I4_1/amd |
|
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 |
|
Zr 0 .75 1/8 |
|
O 0 .0657 .1961 .010 .006 .003 0 0 .000 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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 (15) |
|
_database_code_amcsd 0002644 |
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6.6139 6.6139 5.985 90 90 90 *I4_1/amd |
|
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) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0658 .1954 .012 .009 .008 0 0 .000 |
|
|
| Download AMC data (View Text File)
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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 (12) |
|
_database_code_amcsd 0002645 |
|
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) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0658 .1955 .011 .007 .007 0 0 .000 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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: Sm+P (28) |
|
_database_code_amcsd 0002646 |
|
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 |
|
Zr 0 .75 1/8 |
|
O 0 .0658 .1953 .009 .006 .006 0 0 .000 |
|
|
| Download AMC data (View Text File)
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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: 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) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0660 .1959 .008 .006 .005 0 0 .000 |
|
|
| Download AMC data (View Text File)
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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) |
|
_database_code_amcsd 0002648 |
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6.626 6.626 5.986 90 90 90 *I4_1/amd |
|
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) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0664 .1963 .008 .005 .005 0 0 .000 |
|
|
| Download AMC data (View Text File)
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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 |
|
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) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0663 .1964 .010 .007 .006 0 0 .000 |
|
|
| Download AMC data (View Text File)
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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: Yb+P (40) |
|
_database_code_amcsd 0002650 |
|
6.6265 6.6265 5.979 90 90 90 *I4_1/amd |
|
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) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0664 .1965 .009 .006 .006 0 0 .000 |
|
|
| Download AMC data (View Text File)
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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) |
|
_database_code_amcsd 0002651 |
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6.6329 6.6329 5.986 90 90 90 *I4_1/amd |
|
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) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0663 .1964 .008 .007 .006 0 0 .000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Schoepite |
|
Finch R J, Cooper M A, Hawthorne F C, Ewing R C |
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The Canadian Mineralogist 34 (1996) 1071-1088 |
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The crystal structure of schoepite, [(UO2)8O2(OH)12](H2O)12 |
|
_database_code_amcsd 0005517 |
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14.337 16.813 14.731 90 90 90 P2_1ca |
|
atom x y z Uiso |
|
U1 .2591 .5132 .7583 .0111 |
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U2 .0276 .3775 .7628 .0136 |
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U3 .2792 .7451 .7474 .0123 |
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U4 -.0008 .6127 .7497 .0122 |
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U5 .2797 .0134 .7406 .0100 |
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U6 .0117 .8772 .7631 .0071 |
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U7 .2607 .2450 .7520 .0084 |
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U8 .0398 .1132 .7500 .0084 |
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O1 .2786 .5016 .6402 .0150 |
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O2 .2473 .5218 .8791 .0077 |
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O3 .0229 .3409 .6490 .0160 |
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O4 .0302 .4156 .8724 .0109 |
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O5 .2344 .7381 .6367 .0215 |
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O6 .3262 .7618 .8593 .0113 |
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O7 .0162 .6487 .6383 .0429 |
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O8 -.0041 .5815 .8689 .0099 |
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O9 .3063 .0221 .6248 .0198 |
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O10 .2575 -.0092 .8559 .0236 |
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O11 .0124 .9067 .8803 .0142 |
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O12 .0057 .8446 .6484 .0151 |
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O13 .2249 .2533 .6364 .0256 |
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O14 .2980 .2352 .8685 .0182 |
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O15 .0431 .0800 .8616 .0203 |
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O16 .0345 .1425 .6332 .0063 |
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O17 -.1530 .6265 .7408 .0103 |
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O18 .1985 .1205 .7619 .0103 |
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OH1 .3412 .8803 .7036 .0094 |
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OH2 .4180 .4814 .7885 .0111 |
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OH3 .1612 .6457 .7802 .0123 |
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OH4 .1578 .8270 .7948 .0141 |
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OH5 -.0372 .7429 .7985 .0084 |
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OH6 .1026 .5020 .7041 .0087 |
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OH7 .2083 .3751 .7845 .0094 |
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OH8 .1222 -.0209 .7053 .0111 |
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OH9 .3835 .1501 .7099 .0123 |
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OH10 .3881 .3213 .6980 .0141 |
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OH11 .0907 .2490 .8053 .0084 |
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OH12 .4422 -.0010 .7811 .0087 |
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Wat1 .3221 -.1226 .5227 .0291 |
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Wat2 .4091 .5197 .4790 .0189 |
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Wat3 .1703 .3499 .4761 .0169 |
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Wat4 .1874 .1324 .4837 .0276 |
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Wat5 .4822 .7469 .5139 .0420 |
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Wat6 .1038 .5038 .5341 .0209 |
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Wat7 .2434 .6184 .4811 .0330 |
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Wat8 .1451 -.0423 .5225 .0501 |
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Wat9 .3871 .1600 .5295 .0456 |
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Wat10 .3595 .3528 .5145 .0329 |
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Wat11 .0895 .7612 .4862 .0493 |
|
Wat12 .4307 .0066 .4664 .0194 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Rutherfordine |
|
Finch R J, Cooper M A, Hawthorne F C, Ewing R C |
|
The Canadian Mineralogist 37 (1999) 929-938 |
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Refinement of the crystal structure of rutherfordine |
|
_database_code_amcsd 0005627 |
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4.840 9.273 4.298 90 90 90 Imm2 |
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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) |
|
U 0 0 0 .0055 .0312 .0076 0 0 0 |
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C 1/2 0 .3864 .0120 .0285 .0097 0 0 0 |
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O1 0 -.1880 -.0049 .0309 .0279 .0263 0 0 .0027 |
|
O2 .2638 0 .5066 .0083 .0448 .0166 0 .0039 0 |
|
O3 1/2 0 .0795 .0104 .0979 .0090 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na2[(UO2)(MoO4)2] |
| |
Krivovichev S V, Finch R J, Burns P C |
|
The Canadian Mineralogist 40 (2002) 193-200 |
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Crystal chemistry of uranyl molybdates. V. Topologically distinct |
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uranyl dimolybdate sheets in the structures of Na2[(UO2)(MoO4)2] |
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and K2[(UO2)(MoO4)2](H2O) |
|
_database_code_amcsd 0005763 |
|
7.2298 11.3240 12.0134 90 90 90 P2_12_12_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U .82238 .76038 .23117 .0177 .0125 .0285 .0121 .0009 -.00 .0008 |
|
Mo(1) .3355 .71338 .09927 .0214 .0106 .0396 .0141 .0019 -.0003 -.0027 |
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Mo(2) .5802 .66610 .48552 .0206 .0159 .0279 .0179 -.0016 .0019 .0000 |
|
Na(1) .5822 .9483 .5702 .034 .032 .031 .041 -.005 -.009 -.003 |
|
Na(2) .4098 .9395 .3055 .044 .049 .045 .038 .022 -.003 -.011 |
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O(1) .790 .6035 .2488 .026 .029 .022 .027 .004 -.004 -.002 |
|
O(2) .853 .9156 .2153 .030 .026 .030 .034 -.004 .002 .003 |
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O(3) .395 .5652 .0950 .044 .027 .063 .042 .004 -.001 -.003 |
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O(4) .5156 .7372 .6135 .026 .021 .042 .016 -.005 .007 .000 |
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O(5) .6318 .7830 .3881 .025 .014 .038 .023 .006 .009 .003 |
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O(6) .311 .7666 -.0375 .047 .033 .091 .017 .007 .006 -.002 |
|
O(7) .775 .5805 .5097 .033 .026 .041 .032 .009 .002 .004 |
|
O(8) .402 .5806 .4337 .043 .036 .041 .052 -.013 -.003 -.001 |
|
O(9) .5100 .7949 .1727 .031 .013 .052 .029 .004 -.010 .005 |
|
O(10) .1256 .731 .1719 .054 .015 .101 .047 .014 .011 -.015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
K2[(UO2)(MoO4)2](H2O) |
| |
Krivovichev S V, Finch R J, Burns P C |
|
The Canadian Mineralogist 40 (2002) 193-200 |
|
Crystal chemistry of uranyl molybdates. V. Topologically distinct |
|
uranyl dimolybdate sheets in the structures of Na2[(UO2)(MoO4)2] |
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and K2[(UO2)(MoO4)2](H2O) |
|
_database_code_amcsd 0005764 |
|
7.893 10.907 13.558 90 98.70 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U .47673 .74106 .14526 .0198 .0258 .0194 .0146 .00 .00 -.00 |
|
Mo(1) .5111 .60157 -.09570 .0221 .0356 .0174 .0143 -.0022 .0075 -.0001 |
|
Mo(2) .7606 .95588 -.14068 .0217 .0260 .0202 .0194 .0010 .0055 -.0008 |
|
K(1) .2420 .9161 -.1276 .091 .098 .098 .076 .014 .009 .002 |
|
K(2) .9363 .6679 .0946 .100 .062 .147 .089 .011 .007 .000 |
|
O(1) .4234 .4488 -.0834 .022 .031 .019 .016 .004 .005 .003 |
|
O(2) .429 .7235 -.0303 .035 .062 .026 .015 .016 .002 .001 |
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O(3) .280 .6679 .1561 .036 .027 .042 .041 -.005 .014 -.006 |
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O(4) .671 .0829 -.0827 .033 .051 .028 .016 .013 -.001 -.000 |
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O(5) .675 .8148 .1392 .035 .038 .033 .036 -.005 .012 -.001 |
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O(6) .432 .6336 -.2214 .034 .059 .028 .015 -.013 .008 -.004 |
|
O(7) .868 .8709 -.0442 .037 .039 .038 .034 .005 .004 -.002 |
|
O(8) .598 .8628 -.2118 .035 .050 .029 .026 -.007 -.001 .001 |
|
O(9) .731 .6029 -.0853 .033 .034 .034 .033 -.004 .010 .000 |
|
O(10) .910 .9994 -.2150 .047 .043 .060 .042 .005 .020 .019 |
|
Wat11 .979 .209 -.311 .084 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Billietite |
|
Finch R J, Burns P C, Hawthorne F C, Ewing R C |
|
The Canadian Mineralogist 44 (2006) 1197-1205 |
|
Refinement of the crystal structure of billietite, Ba [(UO2)6 O4 (OH)6] (H2O)8 |
|
Locality: Shaba, Democratic Republic of Congo |
|
_database_code_amcsd 0006120 |
|
12.0941 30.211 7.1563 90 90 90 Pbn2_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .63786 .87627 .3155 .0206 .0185 .0213 .0220 -.0011 .0003 .0005 |
|
U1 .55842 .74671 .00092 .0110 .0093 .0153 .0084 -.0003 -.0001 -.0001 |
|
U2 .74723 .73833 .5391 .0116 .0079 .0154 .0115 -.0001 -.0005 .0006 |
|
U3 .93753 .74265 .99884 .0108 .0083 .0156 .0085 .0006 -.0001 -.0005 |
|
U4 .55865 .00466 .01958 .0113 .0091 .0172 .0076 -.0004 -.0005 -.0004 |
|
U5 .94118 .00557 .01401 .0115 .0093 .0173 .0079 .0003 .0004 -.0005 |
|
U6 .74929 .01411 .4481 .0113 .0067 .0166 .0104 .0002 .0000 -.0006 |
|
O1 .5213 .6903 .952 .0200 |
|
O2 .5990 .8024 .058 .0176 |
|
O3 .7431 .6804 .599 .0183 |
|
O4 .7464 .7936 .445 .0171 |
|
O5 .9753 .6866 .952 .0169 |
|
O6 .8993 .7983 .052 .0202 |
|
O7 .6062 .9477 .032 .0232 |
|
O8 .5115 .0616 .011 .0166 |
|
O9 .8965 .9494 .980 .0230 |
|
O10 .9835 .0624 .039 .0190 |
|
O11 .7381 .9538 .473 .0194 |
|
O12 .7547 .0733 .432 .0116 |
|
OH13 .6016 .7238 .322 .0139 |
|
O14 .5935 .7558 .691 .0157 |
|
O15 .9038 .7496 .688 .0107 |
|
OH16 .8912 .7211 .322 .0139 |
|
OH17 .7464 .7244 .968 .0184 |
|
O18 .5779 .0136 .326 .0166 |
|
OH19 .6147 .0210 .697 .0137 |
|
OH20 .8880 .0229 .691 .0128 |
|
O21 .9161 .0043 .325 .0205 |
|
OH22 .7492 .0272 .076 .0152 |
|
OW23 .7739 .8733 .995 .0302 |
|
OW24 .9220 .6312 .314 .0319 |
|
OW25 .4129 .8883 .202 .0327 |
|
OW26 .9179 .1144 .690 .0382 |
|
OW27 .5645 .6345 .300 .0411 |
|
OW28 .7419 .6249 .025 .0539 |
|
OW29 .634 .8602 .696 .0523 |
|
OW30 .864 .8755 .390 .0452 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Wyartite |
|
Hawthorne F C, Finch R J, Ewing R C |
|
The Canadian Mineralogist 44 (2006) 1379-1385 |
|
The crystal structure of dehydrated wyartite, Ca(CO3)[U5+(U6+O2)2O4(OH)] |
|
(H2O)3 |
|
Locality: Shinkolobwe mine, Shaba, Democratic Republic of Congo |
|
_database_code_amcsd 0006129 |
|
11.2610 7.0870 16.8359 90 90 90 Pmcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .25 .2881 .4443 .70 .0343 .0312 .051 .020 0 0 .004 |
|
Ca2 .25 .3941 .4537 .30 .019 .029 .022 .006 0 0 .003 |
|
U1 -.06061 .88930 .26385 .0113 .0077 .0072 .0190 -.0001 .0013 -.0008 |
|
U2 .25 .89101 .20930 .0112 .0064 .0075 .0198 0 0 -.0011 |
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C .25 .6211 .5337 .70 .040 .031 .014 .076 0 0 .017 |
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O1 .1166 .3712 .3367 .024 .014 .032 .026 -.005 .000 .007 |
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O2 -.0055 .9067 .3647 .0242 .027 .026 .020 -.006 .004 -.003 |
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O3 .1087 .7068 .2326 .0213 .009 .014 .041 .002 .001 -.001 |
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O4 .1032 .0698 .2212 .0165 .014 .009 .026 .000 .003 .003 |
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O5 -.25 .8874 .3158 .0190 .005 .027 .025 0 0 .004 |
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Wat1 .25 .9314 .3555 .042 .057 .057 .012 0 0 -.000 |
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O7c .25 .626 .4588 .70 .072 .081 .089 .044 0 0 -.004 |
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OH7 .25 .626 .4588 .30 .072 .081 .089 .044 0 0 -.004 |
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O8c .25 .468 .5723 .70 .097 .109 .105 .077 0 0 .050 |
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OH8 .25 .468 .5723 .30 .097 .109 .105 .077 0 0 .050 |
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O9Ac .25 .745 .5852 .70 .083 |
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O9B .25 .074 .511 .30 .083 |
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Wat2 .0530 .222 .4848 .33 .030 |
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Ianthinite |
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Burns P C, Finch R J, Hawthorne F C, Miller M L, Ewing R C |
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Journal of Nuclear Materials 249 (1997) 199-206 |
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The crystal structure of ianthinite, [U4+2(UO2)4O6(OH)4](H2O)5: a possible |
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phase for Pu4+ incorporation during the oxidation of spent nuclear fuel |
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Locality: Shinkolobwe mine, Shaba, southern Congo |
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_database_code_amcsd 0013139 |
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7.178 11.473 30.39 90 90 90 P2_1cn |
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atom x y z occ Uiso |
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U1 0 .059 .0057 .0427 |
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U2 .012 -.249 -.0117 .0732 |
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U3 .013 -.558 .0077 .0552 |
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U4 .008 -.496 .2397 .0050 |
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U5 .005 .8140 .2567 .0040 |
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U6 .013 .1929 .2557 .0011 |
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O1 .083 .043 .061 .0050 |
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O2 -.016 .060 -.054 .0050 |
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O3 .000 -.522 .065 .0050 |
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O4 .008 -.593 -.050 .0050 |
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O5 .013 .764 .313 .0050 |
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O6 .002 .857 .200 .0050 |
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O7 .004 .218 .314 .0050 |
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O8 .008 .133 .201 .0050 |
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O9 -.169 -.111 -.004 .0050 |
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O10 -.166 -.420 -.020 .0050 |
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O11 .186 -.366 .240 .0050 |
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O12 .837 -.358 .241 .0050 |
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O13 .822 -.633 .244 .0050 |
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O14 .201 -.634 .238 .0050 |
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OHl .198 -.128 -.046 .0067 |
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OH2 .009 .234 .034 .0067 |
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OH3 .213 -.377 -.040 .0067 |
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OH4 .057 -.013 .285 .0067 |
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Wat1 .025 -.262 -.095 .0142 |
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Wat2 .014 -.519 .163 .0142 |
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Wat3 -.001 -.520 .317 .0142 |
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Wat4 .013 -.236 .066 .0142 |
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Wat5 .801 .910 .126 .0142 |
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Wat6 .226 .890 .141 .0142 |
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Wat7 .732 .090 .121 .0142 |
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Wat8 .291 .120 .134 .0142 |
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Wat9a .670 .469 .130 1/3 .0100 |
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Wat9b .858 -.470 -.128 1/3 .0100 |
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Wat9c .006 -.598 .130 1/3 .0100 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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