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Huemulite |
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Colombo F, Baggio R, Kampf A R |
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The Canadian Mineralogist 49 (2011) 849-864 |
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The crystal structure of the elusive huemulite |
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Locality: synthetic |
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_database_code_amcsd 0018460 |
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9.0425 11.3303 11.7353 105.222 97.377 100.791 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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Na1 .5 .5 .5 .0408 .0358 .0473 .0275 .0037 .0042 -.0074 |
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Na2 .28638 .40537 .70452 .0428 .0494 .0471 .0401 .0187 .0180 .0157 |
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Na3 .5 .5 0 .0335 .0322 .0330 .0358 .0129 .0061 .0052 |
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Mg1 .5 0 .5 .0263 .0246 .0293 .0312 .0145 .0109 .0093 |
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V1 .83596 .74497 .75465 .02424 .0280 .01904 .0197 .00230 .00178 -.0024 |
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V2 .18295 .84113 .79384 .02460 .0282 .0215 .0283 .00740 .01661 .00811 |
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V3 .03857 .76811 .99849 .01924 .0222 .01564 .0230 .00847 .00724 .00569 |
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V4 .81256 .94733 .97807 .01611 .01277 .01633 .02017 .00745 .00407 .00198 |
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V5 .97200 .02589 .77571 .01931 .0228 .01971 .01627 .00785 .00428 .00284 |
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O1 .7036 .63652 .66035 .0397 .0448 .0289 .0304 .0002 -.0027 -.0090 |
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O2 .70196 .82217 .86861 .0236 .0183 .0224 .0274 .0086 .0015 -.0016 |
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O3 .82631 .88103 .69383 .0252 .0278 .0248 .0182 .0061 -.0009 -.0018 |
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O4 .0129 .72617 .69917 .0297 .0399 .0220 .0245 .0014 .0137 .0034 |
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O5 .88645 .67025 .87581 .0239 .0284 .0159 .0264 .0059 .0075 .0016 |
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O6 .83030 .06848 .89225 .0187 .0149 .0203 .0228 .0108 .0029 .0031 |
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O7 .13044 .96593 .72610 .0248 .0305 .0244 .0230 .0095 .0130 .0060 |
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O8 .18995 .75544 .90835 .0257 .0264 .0220 .0361 .0121 .0161 .0114 |
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O9 .89011 .85207 .07876 .0169 .0162 .0159 .0199 .0074 .0052 .0024 |
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O10 .94441 .11931 .69616 .0291 .0320 .0313 .0279 .0170 .0054 .0049 |
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O11 .3220 .80842 .72721 .0374 .0408 .0341 .0466 .0135 .0297 .0143 |
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O12 .06696 .67647 .07938 .0304 .0349 .0267 .0395 .0196 .0121 .0130 |
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O13 .00329 .90959 .90089 .0170 .0165 .0162 .0190 .0064 .0052 .0029 |
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O14 .30389 .99325 .93135 .0235 .0185 .0241 .0314 .0108 .0104 .0056 |
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OW1 .5134 .37056 .6329 .0448 .0476 .0316 .0555 .0104 .0156 .0091 |
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H1A .521 .2968 .603 .054 |
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H1B .578 .397 .6976 .054 |
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OW2 .3009 .5503 .5917 .0553 .0779 .0447 .0498 .0117 .0269 .0226 |
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H2A .219 .535 .539 .066 |
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H2B .306 .6200 .643 .066 |
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OW3 .1431 .2115 .55469 .0437 .0503 .0529 .0312 .0153 .0161 .0096 |
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H3A .120 .193 .4791 .052 |
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H3B .064 .182 .579 .052 |
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OW4 .0645 .4593 .7686 .0577 .0755 .0465 .0735 .0291 .0491 .0283 |
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H4A .023 .419 .812 .069 |
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H4B .052 .5324 .797 .069 |
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OW5 .4297 .61851 .86666 .0368 .0343 .0350 .0459 .0164 .0109 .0111 |
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H5A .365 .661 .884 .044 |
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H5B .505 .674 .866 .044 |
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OW6 .3393 .30988 .85774 .0349 .0308 .0312 .0464 .0184 .0130 .0026 |
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H6A .267 .264 .875 .042 |
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H6B .399 .262 .848 .042 |
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OW7 .6897 .45484 .8785 .0415 .0301 .0318 .0704 .0255 .0144 .0074 |
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H7A .748 .5233 .883 .050 |
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H7B .747 .415 .907 .050 |
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OW8 .6347 .14362 .64575 .0404 .0336 .0431 .0443 .0107 .0076 .0115 |
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H8A .605 .144 .7117 .048 |
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H8B .7297 .155 .645 .048 |
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OW9 .3120 .0307 .57329 .0428 .0432 .0565 .0527 .0361 .0313 .0259 |
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H9A .267 .003 .623 .051 |
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H9B .274 .093 .576 .051 |
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OW10 .4647 .13222 .41227 .0339 .0276 .0468 .0400 .0275 .0132 .0135 |
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H10A .523 .142 .364 .041 |
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H10B .3753 .123 .376 .041 |
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OW11 .5428 .1401 .86016 .0401 .0244 .0518 .0507 .0294 .0047 .0060 |
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H11A .473 .090 .877 .048 |
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H11B .623 .132 .898 .048 |
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Wat12A .8775 .3473 .5385 .26 .102 .082 .146 .087 .031 .009 .059 |
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Wat12B .9643 .4380 .5229 .65 .090 .073 .087 .093 -.001 -.009 .031 |
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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 (permalink) |
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Huemulite |
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Colombo F, Baggio R, Kampf A R |
| |
The Canadian Mineralogist 49 (2011) 849-864 |
|
The crystal structure of the elusive huemulite |
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Locality: West Sunday mine, Utah, USA |
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_database_code_amcsd 0018461 |
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9.0453 11.3337 11.7372 105.223 97.383 100.790 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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Na1 .5 .5 .5 .0443 .0406 .0500 .0306 .0051 .0053 -.0071 |
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Na2 .28622 .40535 .70437 .0469 .0549 .0493 .0452 .0209 .0194 .0167 |
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Na3 .5 .5 .0000 .0372 .0374 .0357 .0397 .0152 .0068 .0059 |
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Mg1 .5 0 .5 .0295 .0278 .0317 .0361 .0173 .0112 .0099 |
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V1 .83583 .74493 .75461 .02819 .0332 .0215 .0246 .0044 .0030 -.0016 |
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V2 .18297 .84107 .79391 .02845 .0334 .0245 .0327 .0099 .0179 .0091 |
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V3 .03858 .76814 .99854 .02289 .0266 .0183 .0275 .0106 .0087 .00639 |
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V4 .81258 .94732 .97815 .01973 .0175 .0188 .0244 .00930 .00524 .00257 |
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V5 .97184 .02587 .77563 .02316 .0274 .0226 .0210 .0100 .0059 .00336 |
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O1 .7034 .6365 .6604 .0437 .0480 .0323 .0350 .0018 -.0028 -.0100 |
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O2 .7021 .82217 .86874 .0266 .0211 .0261 .0294 .0095 .0011 -.0017 |
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O3 .8264 .88089 .69397 .0282 .0315 .0282 .0200 .0077 -.0013 -.0014 |
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O4 .0134 .72612 .69966 .0329 .0441 .0245 .0288 .0038 .0146 .0054 |
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O5 .8866 .67004 .87591 .0294 .0338 .0192 .0356 .0096 .0111 .0018 |
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O6 .83062 .06803 .89220 .0220 .0185 .0229 .0270 .0121 .0039 .0035 |
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O7 .1305 .96598 .72635 .0282 .0354 .0267 .0266 .0114 .0151 .0060 |
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O8 .1896 .75564 .90795 .0296 .0306 .0230 .0418 .0135 .0161 .0103 |
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O9 .89051 .85238 .07903 .0212 .0216 .0177 .0266 .0098 .0083 .0025 |
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O10 .9448 .11888 .69620 .0327 .0358 .0352 .0311 .0187 .0059 .0050 |
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O11 .3218 .8082 .7272 .0404 .0451 .0369 .0504 .0163 .0308 .0166 |
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O12 .0670 .67687 .07928 .0332 .0390 .0285 .0411 .0208 .0113 .0121 |
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O13 .00340 .90933 .90088 .0220 .0253 .0184 .0249 .0088 .0090 .0047 |
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O14 .3036 .99306 .93123 .0261 .0229 .0268 .0337 .0134 .0120 .0068 |
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OW1 .5128 .3704 .6328 .0488 .0563 .0342 .0595 .0143 .0189 .0127 |
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H1A .522 .2976 .600 .059 |
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H1B .573 .388 .699 .059 |
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OW2 .3005 .5502 .5913 .0601 .087 .0466 .0550 .0138 .0302 .0260 |
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H2A .220 .537 .538 .072 |
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H2B .296 .619 .640 .072 |
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OW3 .1424 .2114 .5546 .0483 .0559 .0532 .0393 .0167 .0189 .0097 |
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H3A .126 .189 .4786 .058 |
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H3B .065 .178 .577 .058 |
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OW4 .0641 .4596 .7690 .0609 .0793 .0494 .078 .0321 .0518 .0301 |
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H4A .030 .420 .815 .073 |
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H4B .038 .528 .793 .073 |
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OW5 .4289 .6185 .8664 .0406 .0381 .0381 .0505 .0179 .0128 .0111 |
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H5A .362 .659 .885 .049 |
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H5B .508 .674 .875 .049 |
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OW6 .3394 .3095 .8575 .0382 .0361 .0321 .0508 .0194 .0144 .0041 |
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H6A .266 .264 .875 .046 |
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H6B .402 .263 .855 .046 |
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OW7 .6896 .4551 .8786 .0459 .0347 .0350 .0758 .0270 .0149 .0085 |
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H7A .748 .5255 .889 .055 |
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H7B .748 .413 .903 .055 |
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OW8 .6348 .1433 .6461 .0447 .0453 .0444 .0453 .0108 .0126 .0132 |
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H8A .626 .165 .7189 .054 |
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H8B .700 .154 .601 .054 |
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OW9 .3124 .0304 .5729 .0468 .0465 .0582 .0595 .0377 .0315 .0263 |
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H9A .270 .005 .625 .056 |
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H9B .271 .091 .581 .056 |
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OW10 .4644 .1323 .4127 .0373 .0302 .0500 .0437 .0278 .0136 .0135 |
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H10A .514 .135 .357 .045 |
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H10B .3733 .123 .378 .045 |
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OW11 .5427 .1398 .8601 .0437 .0305 .0547 .0540 .0313 .0065 .0086 |
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H11A .481 .096 .890 .052 |
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H11B .625 .133 .898 .052 |
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Wat12A .8766 .3447 .5397 .29 .111 .090 .156 .100 .042 .015 .058 |
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Wat12B .965 .437 .5225 .57 .100 .085 .105 .115 .020 .011 .057 |
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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 (permalink) |
| |
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Total number of retrieved datasets: 