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Realgar |
 |
Kyono A, Kimata M, Hatta T |
 |
American Mineralogist 90 (2005) 1563-1570 |
|
Light-induced degradation dynamics in realgar: in situ structural investigation |
|
using single crystal X-ray diffraction and X-ray photoelectron spectroscopy |
|
Sample: Getchell mine, Nevada; t = 0 hours |
|
Note: space group corrected |
|
_database_code_amcsd 0003933 |
|
9.327 13.563 6.590 90 106.46 90 P2_1/n |
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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) |
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As1 .1211 -.0206 .7635 .0418 .0426 .0373 .0456 -.0045 .0125 -.0034 |
|
As2 .4240 .1388 .8562 .0406 .0371 .0378 .0488 -.0020 .0154 .0005 |
|
As3 .3208 .1264 .1780 .0405 .0390 .0429 .0397 -.0005 .0111 -.0030 |
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As4 .0395 .1609 .7147 .0429 .0370 .0427 .0481 .0047 .0106 .0020 |
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S1 .3440 -.0064 .7007 .0426 .0454 .0383 .0475 .0054 .0190 -.0024 |
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S2 .2138 -.0234 .1147 .0426 .0441 .0393 .0463 -.0018 .0157 .0042 |
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S3 .2380 .2261 .6393 .0440 .0494 .0381 .0467 .0032 .0172 .0080 |
|
S4 .1071 .2103 .0522 .0445 .0441 .0476 .0456 .0073 .0189 -.0017 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A, Kimata M, Hatta T |
|
American Mineralogist 90 (2005) 1563-1570 |
|
Light-induced degradation dynamics in realgar: in situ structural investigation |
|
using single crystal X-ray diffraction and X-ray photoelectron spectroscopy |
|
Sample: Getchell mine, Nevada; t = 6 hours |
|
Note: space group corrected |
|
_database_code_amcsd 0003934 |
|
9.343 13.561 6.580 90 106.10 90 P2_1/n |
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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) |
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As1 .1229 -.0209 .7640 .0456 .0473 .0386 .0483 -.0050 .0089 -.0051 |
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As2 .4234 .1392 .8548 .0451 .0423 .0383 .0567 -.0034 .0172 .0027 |
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As3 .3206 .1268 .1761 .0452 .0469 .0457 .0425 -.0019 .0115 -.0043 |
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As4 .0406 .1607 .7153 .0479 .0453 .0458 .0502 .0047 .0092 .0028 |
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S1 .3461 -.0062 .7033 .0475 .0533 .0418 .0508 .0047 .0200 .0066 |
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S2 .2138 -.0225 .1146 .0458 .0479 .0386 .0469 -.0021 .0066 .0049 |
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S3 .2397 .2246 .6399 .0507 .0585 .0396 .0563 .0053 .0196 .0101 |
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S4 .1068 .2098 .0494 .0494 .0502 .0455 .0540 .0110 .0173 -.0049 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A, Kimata M, Hatta T |
|
American Mineralogist 90 (2005) 1563-1570 |
|
Light-induced degradation dynamics in realgar: in situ structural investigation |
|
using single crystal X-ray diffraction and X-ray photoelectron spectroscopy |
|
Sample: Getchell mine, Nevada; t = 12 hours |
|
Note: space group corrected |
|
_database_code_amcsd 0003935 |
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9.360 13.573 6.590 90 105.71 90 P2_1/n |
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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) |
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As1 .1241 -.0206 .7649 .0598 .0627 .0500 .0652 -.0071 .0149 -.0033 |
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As2 .4235 .1386 .8541 .0565 .0500 .0463 .0753 .0020 .0206 .0032 |
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As3 .3206 .1266 .1760 .0554 .0548 .0558 .0551 -.0047 .0142 -.0069 |
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As4 .0415 .1599 .7152 .0595 .0553 .0552 .0635 .0035 .0082 .0039 |
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S1 .3465 -.0057 .7041 .0588 .0597 .0499 .0710 .0042 .0251 .0034 |
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S2 .2129 -.0219 .1141 .0568 .0591 .0535 .0611 .0030 .0222 .0057 |
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S3 .2394 .2256 .6438 .0650 .0790 .0442 .0683 .0061 .0139 .0107 |
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S4 .1065 .2105 .0466 .0656 .0632 .0575 .0773 .0087 .0213 -.0044 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A, Kimata M, Hatta T |
|
American Mineralogist 90 (2005) 1563-1570 |
|
Light-induced degradation dynamics in realgar: in situ structural investigation |
|
using single crystal X-ray diffraction and X-ray photoelectron spectroscopy |
|
Sample: Getchell mine, Nevada; t = 18 hours |
|
Note: space group corrected |
|
_database_code_amcsd 0003936 |
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9.380 13.569 6.593 90 105.55 90 P2_1/n |
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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) |
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As1 .1254 -.0205 .7660 .0653 .0711 .0530 .0725 -.0081 .0206 -.0055 |
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As2 .4229 .1392 .8517 .0628 .0557 .0567 .0812 .0017 .0272 .0024 |
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As3 .3197 .1267 .1735 .0646 .0590 .0647 .0721 -.0019 .0212 -.0012 |
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As4 .0412 .1597 .7151 .0687 .0580 .0660 .0802 .0026 .0154 .0034 |
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S1 .3459 -.0058 .6994 .0680 .0662 .0603 .0833 .0113 .0298 .0019 |
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S2 .2126 -.0221 .1123 .0692 .0546 .0627 .0948 .0002 .0278 -.0007 |
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S3 .2388 .2248 .6421 .0777 .0704 .0670 .0927 .0090 .0165 .0251 |
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S4 .1079 .2110 .0484 .0818 .0747 .0627 .1132 .0174 .0344 -.0206 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A, Kimata M, Hatta T |
|
American Mineralogist 90 (2005) 1563-1570 |
|
Light-induced degradation dynamics in realgar: in situ structural investigation |
|
using single crystal X-ray diffraction and X-ray photoelectron spectroscopy |
|
Sample: Getchell mine, Nevada; t = 24 hours |
|
Note: space group corrected |
|
_database_code_amcsd 0003937 |
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9.385 13.570 6.600 90 105.36 90 P2_1/n |
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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) |
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As1 .1252 -.0207 .7617 .0760 .0884 .0645 .0732 .0010 .0180 -.0036 |
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As2 .4248 .1390 .8502 .0673 .0785 .0532 .0750 .0050 .0288 .0032 |
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As3 .3211 .1275 .1714 .0608 .0629 .0648 .0544 .0045 .0149 -.0075 |
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As4 .0379 .1594 .7147 .0795 .0749 .0841 .0825 .0075 .0260 .0031 |
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S1 .3465 -.0072 .7044 .0680 .0880 .0408 .0788 -.0368 .0282 .0023 |
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S2 .2131 -.0246 .1126 .0872 .1401 .0550 .0717 .0434 .0371 .0124 |
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S3 .2416 .2263 .6439 .0706 .0865 .0541 .0700 -.0048 .0189 -.0083 |
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S4 .1081 .2121 .0342 .0793 .0942 .0764 .0685 -.0018 .0236 .0027 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se0-2 |
|
_database_code_amcsd 0004856 |
|
9.3334 13.5780 6.6006 90 106.499 90 P2_1/n |
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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) |
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As1 .12100 -.02072 .76335 .02366 .02444 .02287 .02291 -.00408 .00547 -.00333 |
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As2 .42374 .13896 .85628 .02327 .01995 .02396 .02782 -.00092 .00992 .00157 |
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As3 .32096 .12643 .17791 .02311 .02156 .02803 .01906 -.00120 .00464 -.00353 |
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As4 .03926 .16103 .71451 .02499 .02051 .02792 .02513 .00576 .00418 .00232 |
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SX1 .34415 -.00626 .70090 .02560 .0276 .0248 .0273 .0032 .0123 -.0033 |
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SX2 .21431 -.02341 .11564 .02522 .0256 .0275 .0231 -.0026 .0080 .0043 |
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SX3 .23868 .22617 .63965 .02757 .0320 .0239 .0286 .0032 .0115 .0079 |
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SX4 .10680 .20995 .05213 .02857 .0272 .0314 .0299 .0062 .0125 -.0056 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se0-3 |
|
_database_code_amcsd 0004857 |
|
9.3420 13.5666 6.5961 90 106.531 90 P2_1/n |
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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) |
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As1 .12116 -.02074 .76347 .02617 .0312 .0222 .0236 -.00410 .0054 -.0033 |
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As2 .42373 .13898 .85626 .02567 .0263 .0236 .0282 -.00106 .0095 .0015 |
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As3 .32093 .12655 .17794 .02568 .0286 .0280 .0190 -.00135 .00442 -.0034 |
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As4 .03945 .16103 .71478 .02791 .0273 .0285 .0257 .00523 .0040 .0024 |
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SX1 .34460 -.00606 .7011 .0282 .0355 .0256 .0262 .0042 .0129 -.0028 |
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SX2 .21424 -.02336 .1158 .0275 .0319 .0264 .0238 -.0018 .0075 .0040 |
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SX3 .23877 .22625 .6396 .0300 .0384 .0238 .0292 .0031 .0115 .0081 |
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SX4 .10681 .20989 .0519 .0314 .0335 .0312 .0309 .0065 .0114 -.0056 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se0-4 |
|
_database_code_amcsd 0004858 |
|
9.3389 13.5871 6.5981 90 106.500 90 P2_1/n |
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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) |
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As1 .12097 -.02074 .76336 .02475 .0258 .0225 .0244 -.0037 .0046 -.0030 |
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As2 .42379 .13895 .85640 .02436 .0210 .0236 .0295 -.0010 .0087 .0015 |
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As3 .32100 .12646 .17807 .02420 .0231 .0273 .0207 -.0012 .0038 -.0034 |
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As4 .03937 .16109 .71454 .02637 .0220 .0270 .0275 .0054 .0026 .0020 |
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SX1 .34449 -.00622 .7010 .0269 .0307 .0251 .0270 .0033 .0120 -.0029 |
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SX2 .21412 -.02339 .1156 .0260 .0278 .0257 .0245 -.0025 .0073 .0041 |
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SX3 .23878 .22609 .6395 .0293 .0328 .0248 .0308 .0032 .0103 .0086 |
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SX4 .10658 .20990 .0522 .0308 .0290 .0318 .0338 .0060 .0126 -.0057 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se0-5 |
|
_database_code_amcsd 0004859 |
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9.3453 13.5885 6.5973 90 106.4598 90 P2_1/n |
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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) |
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As1 .12128 -.02066 .76357 .02575 .0245 .02292 .0284 -.00402 .00510 -.00333 |
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As2 .42386 .13900 .85648 .02558 .0200 .0244 .0336 -.00130 .00939 .00158 |
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As3 .32100 .12653 .17798 .02519 .0217 .0285 .0239 -.00149 .00429 -.00365 |
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As4 .03947 .16105 .71471 .02745 .0208 .0286 .0304 .00554 .00306 .00221 |
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SX1 .34465 -.00601 .70108 .0280 .0293 .0253 .0318 .0034 .0129 -.0037 |
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SX2 .21438 -.02321 .11636 .0271 .0255 .0273 .0279 -.0024 .0068 .0050 |
|
SX3 .23897 .22620 .63959 .0304 .0324 .0246 .0351 .0030 .0112 .0076 |
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SX4 .10710 .20997 .05235 .0309 .0277 .0317 .0349 .0062 .0114 -.0064 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-1 |
|
_database_code_amcsd 0004860 |
|
9.4342 13.6374 6.6443 90 106.523 90 P2_1/n |
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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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As1 .11910 -.01993 .76060 .0285 .0299 .0267 .0279 -.0041 .0064 -.0038 |
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As2 .42416 .13982 .85844 .0284 .0251 .0294 .0320 -.0006 .0103 .0011 |
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As3 .32232 .12847 .17723 .0280 .0267 .0340 .0227 -.0016 .0063 -.0041 |
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As4 .03978 .16074 .71013 .0303 .0254 .0321 .0308 .0058 .0040 .0024 |
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SX1 .34373 -.00869 .69754 .616 .0329 .0353 .0312 .0337 .0036 .0119 -.0007 |
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SeX1 .34373 -.00869 .69754 .384 .0329 .0353 .0312 .0337 .0036 .0119 -.0007 |
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SX2 .21391 -.02487 .11851 .587 .0310 .0302 .0323 .0308 -.0011 .0094 .0024 |
|
SeX2 .21391 -.02487 .11851 .413 .0310 .0302 .0323 .0308 -.0011 .0094 .0024 |
|
SX3 .24040 .22833 .63979 .781 .0306 .0328 .0296 .0314 .0030 .0119 .0068 |
|
SeX3 .24040 .22833 .63979 .219 .0306 .0328 .0296 .0314 .0030 .0119 .0068 |
|
SX4 .10824 .21377 .05416 .666 .0333 .0312 .0369 .0338 .0034 .0126 -.0044 |
|
SeX4 .10824 .21377 .05416 .334 .0333 .0312 .0369 .0338 .0034 .0126 -.0044 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-3 |
|
_database_code_amcsd 0004861 |
|
9.4654 13.6771 6.6635 90 106.517 90 P2_1/n |
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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) |
|
As1 .11780 -.01975 .75947 .0241 .0258 .0199 .0241 -.0039 .0033 -.0034 |
|
As2 .42432 .14020 .85963 .0234 .0209 .0224 .0267 -.0004 .0064 .0010 |
|
As3 .32290 .12921 .17647 .0232 .0229 .0272 .0177 -.0003 .0028 -.0035 |
|
As4 .03955 .16072 .70840 .0257 .0228 .0247 .0261 .0054 .0011 .0031 |
|
SX1 .34314 -.00928 .69695 .473 .0265 .0309 .0225 .0258 .0033 .0077 -.0003 |
|
SeX1 .34314 -.00928 .69695 .527 .0265 .0309 .0225 .0258 .0033 .0077 -.0003 |
|
SX2 .21363 -.02515 .11823 .407 .0261 .0248 .0263 .0265 -.0008 .0060 .0022 |
|
SeX2 .21363 -.02515 .11823 .593 .0261 .0248 .0263 .0265 -.0008 .0060 .0022 |
|
SX3 .24116 .22909 .64055 .623 .0281 .0310 .0235 .0288 .0027 .0067 .0053 |
|
SeX3 .24116 .22909 .64055 .377 .0281 .0310 .0235 .0288 .0027 .0067 .0053 |
|
SX4 .10916 .21469 .05508 .478 .0304 .0320 .0308 .0302 .0046 .0115 -.0034 |
|
SeX4 .10916 .21469 .05508 .522 .0304 .0320 .0308 .0302 .0046 .0115 -.0034 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-4 |
|
_database_code_amcsd 0004862 |
|
9.4602 13.6374 6.6556 90 106.4895 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .11901 -.02014 .76064 .0234 .0229 .0199 .0246 -.0034 .0017 -.0036 |
|
As2 .42431 .13999 .85919 .0228 .0166 .0229 .0288 -.0001 .0061 .0010 |
|
As3 .32226 .12879 .17684 .0227 .0203 .0272 .0190 -.0009 .0032 -.0037 |
|
As4 .04005 .16074 .70973 .0248 .0191 .0245 .0270 .0053 .0003 .0025 |
|
SX1 .34387 -.00855 .69768 .564 .0269 .0289 .0245 .0268 .0020 .0074 -.0003 |
|
SeX1 .34387 -.00855 .69768 .436 .0269 .0289 .0245 .0268 .0020 .0074 -.0003 |
|
SX2 .21419 -.02459 .11879 .537 .0243 .0221 .0251 .0256 -.0016 .0067 .0025 |
|
SeX2 .21419 -.02459 .11879 .463 .0243 .0221 .0251 .0256 -.0016 .0067 .0025 |
|
SX3 .24046 .22839 .63985 .728 .0269 .0264 .0227 .0299 .0010 .0054 .0060 |
|
SeX3 .24046 .22839 .63985 .272 .0269 .0264 .0227 .0299 .0010 .0054 .0060 |
|
SX4 .10821 .21374 .05413 .601 .0280 .0253 .0313 .0282 .0040 .0092 -.0044 |
|
SeX4 .10821 .21374 .05413 .399 .0280 .0253 .0313 .0282 .0040 .0092 -.0044 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-5 |
|
_database_code_amcsd 0004863 |
|
9.4424 13.6400 6.6537 90 106.506 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .11865 -.01991 .76043 .0247 .0273 .0208 .0240 -.0035 .0039 -.0038 |
|
As2 .42448 .14011 .85911 .0242 .0215 .0236 .0275 -.0011 .0067 .0008 |
|
As3 .32250 .12878 .17699 .0246 .0248 .0290 .0181 -.0004 .0033 -.0034 |
|
As4 .03991 .16078 .70955 .0267 .0231 .0265 .0269 .0057 .0013 .0025 |
|
SX1 .34334 -.00908 .69715 .533 .0295 .0350 .0258 .0280 .0027 .0095 -.0006 |
|
SeX1 .34334 -.00908 .69715 .467 .0295 .0350 .0258 .0280 .0027 .0095 -.0006 |
|
SX2 .21374 -.02504 .11834 .496 .0274 .0268 .0280 .0271 -.0022 .0072 .0026 |
|
SeX2 .21374 -.02504 .11834 .504 .0274 .0268 .0280 .0271 -.0022 .0072 .0026 |
|
SX3 .24062 .22855 .64001 .701 .0294 .0357 .0253 .0265 .0024 .0076 .0056 |
|
SeX3 .24062 .22855 .64001 .299 .0294 .0357 .0253 .0265 .0024 .0076 .0056 |
|
SX4 .10881 .21434 .05473 .560 .0320 .0323 .0344 .0301 .0043 .0102 -.0055 |
|
SeX4 .10881 .21434 .05473 .440 .0320 .0323 .0344 .0301 .0043 .0102 -.0055 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-6 |
|
_database_code_amcsd 0004864 |
|
9.4461 13.6429 6.6526 90 106.550 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .1191 -.02006 .7603 .0265 .0285 .0227 .0284 -.0040 .0085 -.0047 |
|
As2 .42386 .14017 .8584 .0250 .0201 .0261 .0303 .0010 .0096 .0011 |
|
As3 .3223 .12867 .1767 .0265 .0277 .0317 .0204 -.0011 .0075 -.0046 |
|
As4 .04018 .16082 .7090 .0275 .0216 .0284 .0310 .0062 .0052 .0023 |
|
SX1 .34335 -.00907 .69716 .561 .0296 .0309 .0273 .0321 .0049 .0117 -.0004 |
|
SeX1 .34335 -.00907 .69716 .439 .0296 .0309 .0273 .0321 .0049 .0117 -.0004 |
|
SX2 .21389 -.02489 .11849 .532 .0276 .0271 .0295 .0286 -.0028 .0119 .0012 |
|
SeX2 .21389 -.02489 .11849 .468 .0276 .0271 .0295 .0286 -.0028 .0119 .0012 |
|
SX3 .24057 .22850 .63996 .732 .0319 .040 .0248 .0323 .0017 .0114 .0074 |
|
SeX3 .24057 .22850 .63996 .268 .0319 .040 .0248 .0323 .0017 .0114 .0074 |
|
SX4 .10869 .21422 .05461 .605 .0304 .029 .0333 .0311 .0045 .0126 -.0061 |
|
SeX4 .10869 .21422 .05461 .395 .0304 .029 .0333 .0311 .0045 .0126 -.0061 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-7 |
|
_database_code_amcsd 0004865 |
|
9.4601 13.6323 6.6492 90 106.491 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .11901 -.02008 .76074 .0217 .0178 .0201 .0243 -.0036 .0013 -.0034 |
|
As2 .42392 .14010 .85871 .0214 .0126 .0243 .0283 -.0009 .0070 .0003 |
|
As3 .32214 .12866 .17684 .0218 .0156 .0284 .0194 -.0005 .0014 -.0028 |
|
As4 .04006 .16066 .70982 .0237 .0141 .0259 .0279 .0047 .0008 .0023 |
|
SX1 .34386 -.00856 .69767 .573 .0252 .0229 .0244 .0288 .0024 .0078 .0006 |
|
SeX1 .34386 -.00856 .69767 .427 .0252 .0229 .0244 .0288 .0024 .0078 .0006 |
|
SX2 .21413 -.02465 .11873 .522 .0255 .0181 .0291 .0288 -.0022 .0060 .0015 |
|
SeX2 .21413 -.02465 .11873 .478 .0255 .0181 .0291 .0288 -.0022 .0060 .0015 |
|
SX3 .24035 .22828 .63974 .714 .0269 .0243 .0257 .0304 .0021 .0073 .0049 |
|
SeX3 .24035 .22828 .63974 .286 .0269 .0243 .0257 .0304 .0021 .0073 .0049 |
|
SX4 .10798 .21351 .05390 .601 .0279 .0199 .0336 .0319 .0041 .0100 -.0056 |
|
SeX4 .10798 .21351 .05390 .399 .0279 .0199 .0336 .0319 .0041 .0100 -.0056 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-8 |
|
_database_code_amcsd 0004866 |
|
9.446 13.629 6.6496 90 106.426 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .11894 -.02002 .7605 .0295 .0301 .0222 .0352 -.0036 .0075 -.0030 |
|
As2 .42399 .14009 .8589 .0294 .0256 .0254 .0385 -.0006 .0114 .0005 |
|
As3 .32211 .12871 .1770 .0293 .0278 .0298 .0292 -.0008 .0063 -.0036 |
|
As4 .03995 .16068 .7096 .0314 .0266 .0271 .0377 .0063 .0048 .0027 |
|
SX1 .34372 -.00870 .69753 .536 .0361 .0405 .0282 .0411 .0029 .0139 .0003 |
|
SeX1 .34372 -.00870 .69753 .464 .0361 .0405 .0282 .0411 .0029 .0139 .0003 |
|
SX2 .21432 -.02446 .11892 .534 .0319 .0311 .0285 .0366 -.0020 .0104 .0036 |
|
SeX2 .21432 -.02446 .11892 .466 .0319 .0311 .0285 .0366 -.0020 .0104 .0036 |
|
SX3 .24009 .22802 .63949 .737 .0329 .0372 .0231 .0373 .0005 .0087 .0046 |
|
SeX3 .24009 .22802 .63949 .263 .0329 .0372 .0231 .0373 .0005 .0087 .0046 |
|
SX4 .10808 .21361 .05400 .632 .0329 .0288 .0322 .0405 .0030 .0140 -.0043 |
|
SeX4 .10808 .21361 .05400 .368 .0329 .0288 .0322 .0405 .0030 .0140 -.0043 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-9 |
|
_database_code_amcsd 0004867 |
|
9.4598 13.6531 6.6604 90 106.511 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .11870 -.02011 .76043 .0232 .0226 .0184 .0267 -.0035 .0043 -.0033 |
|
As2 .42388 .14016 .85908 .0227 .0173 .0216 .0300 -.0008 .0082 .0014 |
|
As3 .32225 .12888 .17682 .0225 .0192 .0257 .0206 -.0006 .0024 -.0032 |
|
As4 .03976 .16076 .70932 .0251 .0184 .0237 .0297 .0057 .0015 .0025 |
|
SX1 .34372 -.00870 .69753 .547 .0266 .0283 .0227 .0294 .0028 .0091 -.0002 |
|
SeX1 .34372 -.00870 .69753 .453 .0266 .0283 .0227 .0294 .0028 .0091 -.0002 |
|
SX2 .21361 -.02517 .11821 .509 .0252 .0220 .0250 .0281 -.0017 .0064 .0019 |
|
SeX2 .21361 -.02517 .11821 .491 .0252 .0220 .0250 .0281 -.0017 .0064 .0019 |
|
SX3 .24065 .22858 .64004 .701 .0279 .0287 .0233 .0318 .0038 .0087 .0062 |
|
SeX3 .24065 .22858 .64004 .299 .0279 .0287 .0233 .0318 .0038 .0087 .0062 |
|
SX4 .10840 .21393 .05432 .593 .0276 .0228 .0309 .0300 .0041 .0089 -.0040 |
|
SeX4 .10840 .21393 .05432 .407 .0276 .0228 .0309 .0300 .0041 .0089 -.0040 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-10 |
|
_database_code_amcsd 0004868 |
|
9.4725 13.6493 6.6579 90 106.542 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .11861 -.01982 .75985 .0251 .0266 .0209 .0256 -.0029 .0041 -.0037 |
|
As2 .42447 .14003 .85965 .0246 .0192 .0260 .0292 .0005 .0080 .0005 |
|
As3 .32226 .12898 .17667 .0248 .0218 .0307 .0200 -.0009 .0030 -.0038 |
|
As4 .03993 .16075 .70928 .0265 .0187 .0280 .0286 .0053 -.0000 .0020 |
|
SX1 .34363 -.00879 .69744 .527 .0282 .0289 .0253 .0299 .0034 .0075 .0004 |
|
SeX1 .34363 -.00879 .69744 .473 .0282 .0289 .0253 .0299 .0034 .0075 .0004 |
|
SX2 .21415 -.02463 .11875 .476 .0274 .0232 .0291 .0295 -.0018 .0073 .0016 |
|
SeX2 .21415 -.02463 .11875 .524 .0274 .0232 .0291 .0295 -.0018 .0073 .0016 |
|
SX3 .24051 .22844 .63990 .692 .0287 .0275 .0267 .0304 .0015 .0056 .0035 |
|
SeX3 .24051 .22844 .63990 .308 .0287 .0275 .0267 .0304 .0015 .0056 .0035 |
|
SX4 .10839 .21392 .05431 .555 .0298 .0273 .0332 .0311 .0046 .0117 -.0032 |
|
SeX4 .10839 .21392 .05431 .445 .0298 .0273 .0332 .0311 .0046 .0117 -.0032 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-14 |
|
_database_code_amcsd 0004869 |
|
9.3874 13.6002 6.6233 90 106.444 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .12090 -.02041 .7625 .0258 .0291 .0211 .0268 -.0039 .0069 -.0040 |
|
As2 .42429 .13968 .8574 .0248 .0242 .0223 .0298 -.0005 .0107 .0011 |
|
As3 .32160 .12759 .1775 .0255 .0257 .0285 .0221 -.0025 .0064 -.0028 |
|
As4 .04054 .16105 .7131 .0276 .0254 .0255 .0293 .0049 .0036 .0031 |
|
SX1 .34493 -.00749 .69874 .812 .0315 .037 .0279 .0330 .0029 .0154 -.0011 |
|
SeX1 .34493 -.00749 .69874 .188 .0315 .037 .0279 .0330 .0029 .0154 -.0011 |
|
SX2 .21445 -.02433 .11905 .807 .0300 .033 .0268 .0317 -.0031 .0118 .0023 |
|
SeX2 .21445 -.02433 .11905 .193 .0300 .033 .0268 .0317 -.0031 .0118 .0023 |
|
SX3 .23941 .22734 .63880 .889 .0333 .036 .028 .0361 .0067 .0113 .0086 |
|
SeX3 .23941 .22734 .63880 .111 .0333 .036 .028 .0361 .0067 .0113 .0086 |
|
SX4 .10719 .21272 .05311 .852 .0314 .033 .0323 .0306 .0095 .0116 -.0038 |
|
SeX4 .10719 .21272 .05311 .148 .0314 .033 .0323 .0306 .0095 .0116 -.0038 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-15 |
|
_database_code_amcsd 0004870 |
|
9.3828 13.5837 6.6182 90 106.4839 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .12097 -.02050 .76295 .02562 .0275 .0227 .0250 -.0047 .0047 -.0036 |
|
As2 .42392 .13939 .85713 .02487 .0218 .0235 .0301 -.0009 .0087 .0015 |
|
As3 .32151 .12725 .17744 .02529 .0246 .0287 .0207 -.0016 .0034 -.0036 |
|
As4 .04026 .16086 .71340 .02758 .0240 .0277 .0281 .0057 .0026 .0021 |
|
SX1 .34511 -.00731 .69892 .836 .0317 .0346 .0298 .0315 .0024 .0110 -.0017 |
|
SeX1 .34511 -.00731 .69892 .164 .0317 .0346 .0298 .0315 .0024 .0110 -.0017 |
|
SX2 .21449 -.02429 .11909 .810 .0320 .0322 .0314 .0319 -.0029 .0080 .0027 |
|
SeX2 .21449 -.02429 .11909 .190 .0320 .0322 .0314 .0319 -.0029 .0080 .0027 |
|
SX3 .23921 .22714 .63860 .895 .0341 .0394 .0286 .0354 .0026 .0127 .0074 |
|
SeX3 .23921 .22714 .63860 .105 .0341 .0394 .0286 .0354 .0026 .0127 .0074 |
|
SX4 .10648 .21201 .05240 .850 .0356 .0342 .0371 .0367 .0059 .0122 -.0060 |
|
SeX4 .10648 .21201 .05240 .150 .0356 .0342 .0371 .0367 .0059 .0122 -.0060 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-16 |
|
_database_code_amcsd 0004871 |
|
9.3616 13.5833 6.6080 90 106.378 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .12080 -.02050 .76259 .0262 .0277 .0248 .0253 -.0037 .0058 -.0034 |
|
As2 .42389 .13927 .85738 .0256 .0232 .0247 .0304 -.0013 .0104 .0015 |
|
As3 .32140 .12721 .17770 .0258 .0250 .0305 .0214 -.0006 .0059 -.0036 |
|
As4 .04020 .16097 .71340 .0279 .0243 .0292 .0286 .0064 .0049 .0032 |
|
SX1 .34513 -.00729 .69894 .846 .0320 .0344 .0321 .0311 .0034 .0119 -.0010 |
|
SeX1 .34513 -.00729 .69894 .154 .0320 .0344 .0321 .0311 .0034 .0119 -.0010 |
|
SX2 .21436 -.02442 .11896 .835 .0301 .0287 .0316 .0301 -.0021 .0081 .0045 |
|
SeX2 .21436 -.02442 .11896 .165 .0301 .0287 .0316 .0301 -.0021 .0081 .0045 |
|
SX3 .23919 .22712 .63858 .922 .0313 .0345 .0278 .0336 .0027 .0131 .0065 |
|
SeX3 .23919 .22712 .63858 .078 .0313 .0345 .0278 .0336 .0027 .0131 .0065 |
|
SX4 .10646 .21199 .05238 .877 .0334 .0335 .0364 .0326 .0045 .0130 -.0076 |
|
SeX4 .10646 .21199 .05238 .123 .0334 .0335 .0364 .0326 .0045 .0130 -.0076 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-17 |
|
_database_code_amcsd 0004872 |
|
9.3805 13.6021 6.6197 90 106.442 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .12068 -.02056 .76273 .02748 .0302 .0244 .0272 -.0040 .0070 -.0034 |
|
As2 .42372 .13933 .85679 .02627 .0245 .0252 .0305 -.0014 .0101 .0016 |
|
As3 .32137 .12715 .17737 .02643 .0262 .0302 .0221 -.0013 .0056 -.0031 |
|
As4 .04008 .16094 .71331 .02921 .0264 .0294 .0295 .0065 .0040 .0027 |
|
SX1 .34502 -.00740 .69883 .885 .0308 .0345 .0284 .0312 .0039 .0122 -.0014 |
|
SeX1 .34502 -.00740 .69883 .115 .0308 .0345 .0284 .0312 .0039 .0122 -.0014 |
|
SX2 .21436 -.02442 .11896 .871 .0285 .0310 .0279 .0276 -.0025 .0098 .0032 |
|
SeX2 .21436 -.02442 .11896 .129 .0285 .0310 .0279 .0276 -.0025 .0098 .0032 |
|
SX3 .23899 .22692 .63838 .934 .0332 .0383 .0283 .0339 .0029 .0117 .0055 |
|
SeX3 .23899 .22692 .63838 .066 .0332 .0383 .0283 .0339 .0029 .0117 .0055 |
|
SX4 .10626 .21179 .05218 .909 .0322 .0327 .0332 .0331 .0076 .0136 -.0047 |
|
SeX4 .10626 .21179 .05218 .090 .0322 .0327 .0332 .0331 .0076 .0136 -.0047 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se1-18 |
|
_database_code_amcsd 0004873 |
|
9.3527 13.5795 6.6069 90 106.382 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .12098 -.02069 .76305 .02619 .0273 .0242 .0260 -.0043 .0057 -.0037 |
|
As2 .42389 .13933 .85677 .02608 .0235 .0256 .0311 -.0008 .0109 .0014 |
|
As3 .32130 .12715 .17745 .02619 .0255 .0303 .0220 -.0006 .0054 -.0026 |
|
As4 .04002 .16086 .71373 .02831 .0242 .0285 .0302 .0059 .0045 .0019 |
|
SX1 .34527 -.00715 .69908 .897 .0305 .0338 .0286 .0315 .0039 .0131 -.0012 |
|
SeX1 .34527 -.00715 .69908 .103 .0305 .0338 .0286 .0315 .0039 .0131 -.0012 |
|
SX2 .21446 -.02432 .11906 .888 .0287 .0284 .0292 .0289 -.0026 .0085 .0021 |
|
SeX2 .21446 -.02432 .11906 .112 .0287 .0284 .0292 .0289 -.0026 .0085 .0021 |
|
SX3 .23888 .22681 .63827 .941 .0322 .0349 .0290 .0340 .0014 .0120 .0080 |
|
SeX3 .23888 .22681 .63827 .059 .0322 .0349 .0290 .0340 .0014 .0120 .0080 |
|
SX4 .10642 .21195 .05234 .904 .0333 .0319 .0357 .0333 .0056 .0106 -.0070 |
|
SeX4 .10642 .21195 .05234 .096 .0333 .0319 .0357 .0333 .0056 .0106 -.0070 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se2-1 |
|
_database_code_amcsd 0004874 |
|
9.4193 13.6027 6.6311 90 106.483 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .12027 -.02012 .7621 .0281 .0304 .0249 .0278 -.0040 .0061 -.0037 |
|
As2 .42419 .13989 .8582 .0274 .0248 .0263 .0310 -.0006 .0082 .0023 |
|
As3 .32215 .12816 .1771 .0276 .0269 .0327 .0215 -.0004 .0039 -.0029 |
|
As4 .04081 .16092 .7126 .0301 .0273 .0290 .0308 .0056 .0028 .0013 |
|
SX1 .34464 -.00778 .69845 .734 .0313 .0348 .0294 .0306 .0032 .0100 -.0027 |
|
SeX1 .34464 -.00778 .69845 .266 .0313 .0348 .0294 .0306 .0032 .0100 -.0027 |
|
SX2 .21428 -.02450 .11888 .684 .0306 .0301 .0309 .0304 -.0027 .0065 .0029 |
|
SeX2 .21428 -.02450 .11888 .316 .0306 .0301 .0309 .0304 -.0027 .0065 .0029 |
|
SX3 .23972 .22765 .63911 .851 .0324 .035 .0296 .0294 .0052 .0058 .0104 |
|
SeX3 .23972 .22765 .63911 .149 .0324 .035 .0296 .0294 .0052 .0058 .0104 |
|
SX4 .10777 .21330 .05369 .781 .0318 .0288 .0341 .0346 .0056 .0129 -.0043 |
|
SeX4 .10777 .21330 .05369 .219 .0318 .0288 .0341 .0346 .0056 .0129 -.0043 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
|
Locality: synthetic |
|
Note: S1Se2-4 |
|
_database_code_amcsd 0004877 |
|
9.4223 13.5906 6.6354 90 106.446 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .12039 -.02017 .76171 .02993 .0325 .0230 .0317 -.0032 .0049 -.0035 |
|
As2 .42412 .13987 .85811 .02955 .0267 .0266 .0363 .0002 .0105 .0023 |
|
As3 .32209 .12809 .17737 .0298 .0295 .0315 .0264 -.0012 .0050 -.0033 |
|
As4 .04077 .16081 .71239 .032 .0295 .0301 .0332 .0062 .0032 .0016 |
|
SX1 .34454 -.00788 .69835 .768 .0298 .0352 .0261 .0293 .0027 .0112 -.0013 |
|
SeX1 .34454 -.00788 .69835 .232 .0298 .0352 .0261 .0293 .0027 .0112 -.0013 |
|
SX2 .21420 -.02458 .11880 .728 .0303 .0302 .0265 .0335 -.0019 .0078 .0034 |
|
SeX2 .21420 -.02458 .11880 .273 .0303 .0302 .0265 .0335 -.0019 .0078 .0034 |
|
SX3 .23997 .22790 .63936 .898 .0293 .0326 .0227 .0325 .0018 .0093 .0076 |
|
SeX3 .23997 .22790 .63936 .102 .0293 .0326 .0227 .0325 .0018 .0093 .0076 |
|
SX4 .10773 .21326 .05365 .807 .0319 .0317 .0316 .0334 .0055 .0111 -.0041 |
|
SeX4 .10773 .21326 .05365 .193 .0319 .0317 .0316 .0334 .0055 .0111 -.0041 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
|
Kyono A |
|
American Mineralogist 94 (2009) 451-460 |
|
Molecular conformation and anion configuration variations for As4S4 and As4Se4 |
|
in an anion-substituted solid solution |
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Locality: synthetic |
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Note: S1Se2-11 |
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_database_code_amcsd 0004882 |
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9.4592 13.6345 6.6501 90 106.382 90 P2_1/n |
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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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As1 .12003 -.01984 .76104 .0303 .0342 .0248 .0301 -.0045 .0064 -.0040 |
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As2 .42439 .14042 .85897 .0294 .0264 .0289 .0340 .0002 .0107 .0019 |
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As3 .32264 .12887 .17664 .0293 .0297 .0343 .0233 -.0009 .0066 -.0027 |
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As4 .04115 .16070 .71102 .0322 .0283 .0321 .0327 .0056 .0026 .0016 |
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SX1 .34419 -.00822 .69801 .564 .0370 .0424 .0332 .0358 .0019 .0120 -.0012 |
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SeX1 .34419 -.00822 .69801 .436 .0370 .0424 .0332 .0358 .0019 .0120 -.0012 |
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SX2 .21448 -.02430 .11908 .517 .0338 .0337 .0338 .0350 -.0011 .0116 .0029 |
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SeX2 .21448 -.02430 .11908 .483 .0338 .0337 .0338 .0350 -.0011 .0116 .0029 |
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SX3 .24057 .22850 .63996 .745 .0355 .0386 .0303 .0380 .0012 .0117 .0060 |
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SeX3 .24057 .22850 .63996 .255 .0355 .0386 .0303 .0380 .0012 .0117 .0060 |
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SX4 .10868 .21421 .05460 .634 .0361 .0360 .0379 .0372 .0050 .0152 -.0062 |
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SeX4 .10868 .21421 .05460 .366 .0361 .0360 .0379 .0372 .0050 .0152 -.0062 |
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| Download AMC data (View Text File)
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Realgar |
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Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L, |
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Ullrich A, Balic-Zunic T |
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Physics and Chemistry of Minerals 39 (2012) 399-412 |
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Crystal-structure properties and the molecular nature of |
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hydrostatically compressed realgar |
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Note: P = 0 GPa |
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Locality: Baia Sprie mine, Romania |
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_database_code_amcsd 0019366 |
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9.3272 13.5660 6.5903 90 106.433 90 P2_1/n |
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atom x y z Uiso |
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As1 .12127 -.02086 .76366 .02674 |
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As2 .42384 .13912 .85639 .02745 |
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As3 .32101 .12658 .17802 .02703 |
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As4 .03949 .16106 .71448 .02983 |
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S1 .3447 -.00606 .7014 .0289 |
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S2 .21429 -.02322 .1161 .0283 |
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S3 .23905 .22613 .6403 .0312 |
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S4 .10657 .20978 .0518 .0328 |
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| Download AMC data (View Text File)
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Realgar |
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Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L, |
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Ullrich A, Balic-Zunic T |
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Physics and Chemistry of Minerals 39 (2012) 399-412 |
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Crystal-structure properties and the molecular nature of |
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hydrostatically compressed realgar |
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Note: P = 0.89 GPa |
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Locality: Baia Sprie mine, Romania |
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_database_code_amcsd 0019367 |
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9.164 13.227 6.470 90 106.56 90 P2_1/n |
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atom x y z Uiso |
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As1 .1177 -.0236 .7616 .0252 |
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As2 .4275 .1377 .8553 .0250 |
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As3 .3232 .1273 .1824 .0250 |
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As4 .0365 .1622 .7100 .0283 |
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S1 .3430 -.0097 .6936 .032 |
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S2 .2107 -.0262 .1191 .026 |
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S3 .2340 .2286 .6291 .031 |
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S4 .1075 .2154 .0521 .033 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Realgar |
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Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L, |
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Ullrich A, Balic-Zunic T |
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Physics and Chemistry of Minerals 39 (2012) 399-412 |
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Crystal-structure properties and the molecular nature of |
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hydrostatically compressed realgar |
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Note: P = 1.55 GPa |
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Locality: Baia Sprie mine, Romania |
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_database_code_amcsd 0019368 |
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9.065 13.030 6.375 90 106.77 90 P2_1/n |
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atom x y z Uiso |
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As1 .1141 -.0252 .7589 .0176 |
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As2 .4290 .13747 .8541 .0191 |
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As3 .3248 .1274 .1846 .0174 |
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As4 .0338 .1629 .7063 .0192 |
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S1 .3432 -.0122 .6926 .0220 |
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S2 .2122 -.0270 .1227 .0190 |
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S3 .2396 .2290 .6291 .0216 |
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S4 .1053 .2153 .0539 .0211 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Realgar |
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Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L, |
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Ullrich A, Balic-Zunic T |
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Physics and Chemistry of Minerals 39 (2012) 399-412 |
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Crystal-structure properties and the molecular nature of |
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hydrostatically compressed realgar |
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Note: P = 2.14 GPa |
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Locality: Baia Sprie mine, Romania |
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_database_code_amcsd 0019369 |
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9.003 12.919 6.318 90 106.87 90 P2_1/n |
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atom x y z Uiso |
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As1 .1125 -.0261 .7580 .0195 |
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As2 .4299 .1368 .8533 .0187 |
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As3 .3266 .1272 .1865 .0187 |
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As4 .0319 .1633 .7048 .0214 |
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S1 .3408 -.0148 .6895 .0217 |
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S2 .2085 -.0277 .1230 .0220 |
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S3 .2364 .2293 .6221 .0253 |
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S4 .1076 .2177 .0564 .0169 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Realgar |
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Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L, |
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Ullrich A, Balic-Zunic T |
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Physics and Chemistry of Minerals 39 (2012) 399-412 |
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Crystal-structure properties and the molecular nature of |
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hydrostatically compressed realgar |
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Note: P = 2.82 GPa |
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Locality: Baia Sprie mine, Romania |
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_database_code_amcsd 0019370 |
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8.876 12.887 6.272 90 106.85 90 P2_1/n |
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atom x y z Uiso |
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As1 .1108 -.0266 .7572 .0201 |
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As2 .4317 .1361 .8539 .0205 |
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As3 .3267 .1274 .1882 .0191 |
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As4 .0321 .1634 .7033 .0203 |
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S1 .3413 -.0159 .6876 .0199 |
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S2 .2097 -.0292 .1251 .0214 |
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S3 .2389 .2300 .6252 .0225 |
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S4 .1077 .2181 .0565 .0244 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Realgar |
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Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L, |
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Ullrich A, Balic-Zunic T |
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Physics and Chemistry of Minerals 39 (2012) 399-412 |
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Crystal-structure properties and the molecular nature of |
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hydrostatically compressed realgar |
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Note: P = 3.53 GPa |
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Locality: Baia Sprie mine, Romania |
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_database_code_amcsd 0019371 |
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8.873 12.789 6.251 90 107.00 90 P2_1/n |
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atom x y z Uiso |
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As1 .1087 -.0280 .7569 .0168 |
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As2 .4334 .1357 .8544 .0182 |
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As3 .3278 .1274 .1894 .0185 |
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As4 .0300 .1635 .7002 .0179 |
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S1 .3425 -.0169 .6887 .0144 |
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S2 .2095 -.0291 .1268 .0245 |
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S3 .2379 .2322 .6218 .0194 |
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S4 .1058 .2194 .0578 .0232 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Realgar |
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Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L, |
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Ullrich A, Balic-Zunic T |
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Physics and Chemistry of Minerals 39 (2012) 399-412 |
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Crystal-structure properties and the molecular nature of |
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hydrostatically compressed realgar |
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Note: P = 3.97 GPa |
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Locality: Baia Sprie mine, Romania |
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_database_code_amcsd 0019372 |
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8.827 12.683 6.213 90 106.95 90 P2_1/n |
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atom x y z Uiso |
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As1 .1071 -.0294 .7556 .0186 |
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As2 .4345 .1358 .8542 .0193 |
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As3 .3284 .1277 .1922 .0169 |
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As4 .0286 .1640 .6994 .0198 |
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S1 .3410 -.0173 .6852 .019 |
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S2 .2103 -.0311 .1258 .018 |
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S3 .2390 .2313 .6208 .019 |
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S4 .1071 .2214 .0591 .022 |
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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 (permalink) |
| |
|
Realgar |
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Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L, |
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Ullrich A, Balic-Zunic T |
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Physics and Chemistry of Minerals 39 (2012) 399-412 |
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Crystal-structure properties and the molecular nature of |
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hydrostatically compressed realgar |
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Note: P = 5.40 GPa |
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Locality: Baia Sprie mine, Romania |
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_database_code_amcsd 0019373 |
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8.719 12.634 6.149 90 107.1 90 P2_1/n |
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atom x y z Uiso |
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As1 .1046 -.03065 .7552 .0123 |
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As2 .4356 .1353 .8540 .0130 |
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As3 .3295 .1281 .1934 .0110 |
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As4 .0271 .1649 .6976 .0125 |
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S1 .3429 -.0199 .6813 .0134 |
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S2 .2107 -.0318 .1326 .0130 |
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S3 .2417 .2315 .6195 .0167 |
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S4 .1043 .2224 .0585 .0119 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Realgar |
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Ito T, Morimoto N, Sadanaga R |
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Acta Crystallographica 5 (1952) 775-782 |
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The crystal structure of realgar |
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Locality: Saimoko, Japan |
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_database_code_amcsd 0009149 |
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9.27 13.50 6.56 90 106.62 90 P2_1/n |
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atom x y z Biso |
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As1 .118 .024 -.241 1.3 |
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As2 .425 -.140 -.142 1.3 |
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As3 .318 -.127 .181 1.3 |
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As4 .038 -.161 -.290 1.3 |
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S1 .346 .008 -.295 1.3 |
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S2 .213 .024 .120 1.3 |
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S3 .245 -.225 -.363 1.3 |
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S4 .115 -.215 .048 1.3 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Realgar |
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Mullen D J E, Nowacki W |
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Zeitschrift fur Kristallographie 136 (1972) 48-65 |
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Refinement of the crystal structures of realgar, AsS and orpiment, As2S3 |
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Locality: Lengenbach quarry, Binnatal, Switzerland |
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_database_code_amcsd 0010732 |
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9.325 13.571 6.587 90 106.38 90 P2_1/n |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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As1 .12199 .02060 .76392 .00903 .00301 .01723 .00127 .00720 .00144 |
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As2 .42373 .86090 .85582 .00767 .00315 .01989 .00036 .01062 -.00069 |
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As3 .32051 .87334 .17716 .00828 .00364 .01522 .00053 .00684 .00149 |
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As4 .04014 .83917 .71491 .00820 .00369 .01828 -.00171 .00634 -.00130 |
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S1 .34521 .00604 .70138 .00881 .00284 .01781 -.00096 .01136 .00163 |
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S2 .21388 .02299 .11566 .00842 .00316 .01570 .00043 .00829 -.00209 |
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S3 .23875 .77413 .63924 .00999 .00299 .01826 -.00138 .01049 -.00382 |
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S4 .10702 .78976 .05105 .00901 .00368 .01856 -.00233 .01176 .00225 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Realgar |
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Wyckoff R W G |
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Crystal Structures 1 (1963) 85-237 |
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Second edition. Interscience Publishers, New York, New York |
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_database_code_amcsd 0011671 |
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9.27 13.50 6.56 90 106.62 90 P2_1/n |
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atom x y z |
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As1 .118 .024 -.241 |
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As2 .425 -.140 -.142 |
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As3 .318 -.127 .181 |
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As4 .038 -.161 -.290 |
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S1 .346 .008 -.295 |
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S2 .213 .024 .120 |
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S3 .245 -.225 -.363 |
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S4 .115 -.215 .048 |
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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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