|
Weeksite |
 |
Jackson J M, Burns P C |
 |
The Canadian Mineralogist 39 (2001) 187-195 |
|
A re-evaluation of the structure of weeksite, a uranyl silicate |
|
framework mineral |
|
_database_code_amcsd 0005712 |
|
14.209 14.248 35.869 90 90 90 Cmmb |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U(1) 1/4 .2543 .15016 .0133 .0094 .0181 .0124 0 0 -.0018 |
|
U(2) 1/4 .2545 .34843 .0189 .0141 .0317 .0108 0 0 -.0041 |
|
U(3) 0 1/4 .40027 .0219 .0152 .0405 .0099 .0009 0 0 |
|
U(4) 0 1/4 .09875 .0139 .0098 .0179 .0141 -.0006 0 0 |
|
Si(1) 1/4 .1937 .2496 .0050 |
|
Si(2) .0487 .1100 .2491 .0072 |
|
Si(3) 1/4 .2517 .4371 .0233 |
|
Si(4) 1/4 .2494 .0627 .0112 |
|
Si(5) 0 1/4 .1863 .0164 |
|
Si(6) 0 1/4 .3117 .0186 |
|
Si(7) 0 .190 0 .5 .0196 |
|
Si(8) -.2031 .1102 .0001 .5 .0209 |
|
Si(9) 0 .193 1/2 .5 .0350 |
|
Si(10) .201 .110 .5000 .5 .0343 |
|
K(1) .0888 1/2 .1602 .02 .0373 .0184 .0392 .0544 0 .0007 0 |
|
Ca(1) .0888 1/2 .1602 .12 .0373 .0184 .0392 .0544 0 .0007 0 |
|
Ba(1) .0888 1/2 .1602 .25 .0373 .0184 .0392 .0544 0 .0007 0 |
|
Wat(1) .0888 1/2 .1602 .23 .0373 .0184 .0392 .0544 0 .0007 0 |
|
K(2) .9114 0 .3376 .02 .0445 .0274 .0437 .0623 0 .0065 0 |
|
Ca(2) .9114 0 .3376 .12 .0445 .0274 .0437 .0623 0 .0065 0 |
|
Ba(2) .9114 0 .3376 .25 .0445 .0274 .0437 .0623 0 .0065 0 |
|
Wat(2) .9114 0 .3376 .33 .0445 .0274 .0437 .0623 0 .0065 0 |
|
K(3) .160 0 .4161 .62 .0638 .0529 .0531 .0854 0 -.0397 0 |
|
K(4) .841 0 .4092 .56 .0406 .0462 .0328 .0429 0 .0020 0 |
|
K(5) .159 1/2 .0890 .62 .0402 .0195 .0293 .0718 0 -.0020 0 |
|
K(6) .157 0 .0836 .64 .0634 .0705 .0329 .0869 0 .0210 0 |
|
O(1) 1/4 .261 .2132 .0279 |
|
O(2) 0 1/4 -.0369 .0260 |
|
O(3) 1/4 .258 .2858 .0258 |
|
O(4) 0 1/4 .4626 .0434 |
|
O(5) -.162 .248 .0898 .0244 |
|
O(6) .1605 .1228 .2489 .0159 |
|
O(7) -.089 .754 .1576 .0250 |
|
O(8) .088 .260 .3408 .0222 |
|
O(9) .002 .159 .2134 .0251 |
|
O(10) .004 .154 .2866 .0386 |
|
O(11) 1/4 .160 .4632 .0350 |
|
O(12) .161 .250 .4089 .0294 |
|
O(13) 1/4 .381 .1463 .0146 |
|
O(14) 1/4 .383 .3503 .0367 |
|
O(15) .000 .126 .0993 .0314 |
|
O(16) 1/4 .129 .1499 .0202 |
|
O(17) 1/4 .126 .3465 .0505 |
|
O(18) -.001 .124 .3994 .0371 |
|
O(19) .025 0 .2491 .0101 |
|
O(20) 1/4 .157 .0364 .0250 |
|
O(21) -1/4 .158 .0361 .0192 |
|
O(22) 1/4 .341 .4633 .0467 |
|
O(23) 1/4 0 .498 .0675 |
|
O(24) -1/4 0 .002 .0687 |
|
O(25) -.091 .119 .000 .5 .0301 |
|
O(26) .090 .126 .500 .5 .0550 |
|
Wat(27) -.106 1/2 .168 .0140 |
|
Wat(28) 1/4 1/2 .249 .3121 |
|
|
| 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.
