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Pearceite |
|
Bindi L, Evain M, Menchetti S |
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The Canadian Mineralogist 45 (2007) 321-333 |
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Complex twinning, polytypism and disorder phenomena in the crystal structures |
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of antimonpearceite and arsenpolybasite |
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Locality: Eagle mine, Colorado, USA |
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Sample: T = 330 K |
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Note: mineral name has been changed from antimonpearceite |
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Note: this is type pearceite-Tac |
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_database_code_amcsd 0006140 |
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7.4805 7.4805 11.8836 90 90 120 P-3m1 |
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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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Ag1 .14879 .2976 .38289 .66 .0584 .0457 .0728 .0658 .0364 -.0022 -.0045 |
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Cu1 .14879 .2976 .38289 .34 .0584 .0457 .0728 .0658 .0364 -.0022 -.0045 |
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Ag2 .196 .3651 .1206 .411 .461 .84 .0507 .0482 -.111 -.019 .0059 |
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Ag3 .3740 .2792 .1168 .339 .120 .086 .197 .056 .055 -.0025 -.046 |
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Cu2 0 0 0 .0314 .0392 .0392 .0158 .0196 0 0 |
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Sb 2/3 1/3 .41180 .923 .02462 .02671 .02671 .0205 .01335 0 0 |
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As 2/3 1/3 .41180 .077 .02462 .02671 .02671 .0205 .01335 0 0 |
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S1 0 0 .18171 .0288 .0354 .0354 .0157 .0177 0 0 |
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S2 .50432 .00864 .31065 .0301 .0297 .0223 .0358 .01113 -.00027 -.0005 |
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S3 1/3 2/3 .0153 .0448 .0454 .0454 .0435 .0227 0 0 |
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S4 0 .0798 .5 1/6 .0334 |
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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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Pearceite |
|
Bindi L, Evain M, Menchetti S |
|
The Canadian Mineralogist 45 (2007) 321-333 |
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Complex twinning, polytypism and disorder phenomena in the crystal structures |
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of antimonpearceite and arsenpolybasite |
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Locality: St. Joachimsthal, Bohemia, Czech Republic |
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Sample: 221 |
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Note: mineral name has been changed from arsenpolybasite |
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Note: this is type pearceite-T2ac |
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_database_code_amcsd 0006141 |
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14.9746 14.9746 11.9982 90 90 120 P321 |
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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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Ag1 .36371 .42908 .10401 .0389 .0413 .0360 .0419 .0213 .0095 .0013 |
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Ag2 .09037 .42152 .13506 .813 .0500 .0301 .0439 .0561 .0035 -.0111 .0027 |
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Cu2' .0904 .4215 .1351 .187 .0500 .0301 .0439 .0561 .0035 -.0111 .0027 |
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Ag3 .07803 .15006 .11754 .869 .0569 .0440 .0753 .0617 .0376 .0039 .0053 |
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Cu3' .078 .1501 .1175 .131 .0569 .0440 .0753 .0617 .0376 .0039 .0053 |
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Ag4 .57112 .41821 .11501 .0506 .0427 .0389 .0534 .0079 -.0022 .0038 |
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Ag5 .34634 .54688 .39198 .0446 .0425 .0531 .0407 .0259 -.0029 -.0121 |
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Ag6 .26987 .06958 .39070 .0580 .0954 .0504 .0362 .0424 -.0137 -.0116 |
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Ag7 .13407 .17634 .37296 .0574 .0787 .0273 .0490 .0137 -.0193 -.0020 |
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Ag8 .52522 .16860 .37615 .0695 .1253 .0327 .0400 .0316 -.0082 .0020 |
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Ag9 .10038 .42134 .39254 .0448 .0574 .0471 .0497 .0410 -.0171 -.0108 |
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Ag10 .38282 .30734 .36580 .0875 .1442 .0266 .0342 -.0004 .0055 .0026 |
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Cu1 0 .51201 .5 .0251 .0306 .0300 .0149 .0153 -.0011 -.0006 |
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Cu2 0 0 .5 .0331 .0407 .0407 .0179 .0204 0 0 |
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As1 1/3 2/3 .09980 .0204 .0218 .0218 .0175 .0109 0 0 |
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As2 .33359 .16003 .09832 .0189 .0201 .0195 .0166 .0096 .0007 -.0001 |
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S1 .2715 .5150 .1906 .0238 .0215 .0208 .0303 .0115 .0012 -.0026 |
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S2 -.01023 .2402 .1981 .0264 .0157 .0278 .0301 .0068 -.0012 .0001 |
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S3 .2618 .2468 .1777 .0266 .0281 .0273 .0305 .0184 .0010 .0001 |
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S4 .4839 .2415 .1922 .0267 .0209 .0203 .0369 .0087 -.0037 .0021 |
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S5 .4938 .50125 .32031 .0226 .0301 .0202 .0149 .0106 .0019 -.0006 |
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S6 0 0 .3201 .0237 .0270 .0270 .0171 .0135 0 0 |
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S7 .1953 .3430 .46279 .0274 .0335 .0264 .0256 .0175 -.0029 -.0016 |
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S8 1/3 2/3 .5393 .0306 .0327 .0327 .026 .0163 0 0 |
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S9 .5324 .5324 0 .0529 .0497 .0497 .0270 .001 -.0022 .0022 |
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S10 .0248 .0248 0 1/3 .070 .060 .060 .036 -.010 -.025 .025 |
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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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Pearceite |
|
Bindi L, Evain M, Menchetti S |
|
The Canadian Mineralogist 45 (2007) 321-333 |
|
Complex twinning, polytypism and disorder phenomena in the crystal structures |
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of antimonpearceite and arsenpolybasite |
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Locality: Freiberg, Germany |
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Sample: 222 |
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Note: mineral name has been changed from arsenpolybasite |
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Note: This is type pearceite-M2a2b2c |
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_database_code_amcsd 0006142 |
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26.036 15.0319 24.042 90 90.000 90 C2/c |
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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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Ag1 .03356 .14478 .05354 .0407 .0356 .0397 .0467 -.0062 -.0072 .0066 |
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Ag2 .04409 .36395 .06653 .0479 .0288 .0595 .0554 .0071 -.0053 .0008 |
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Ag3 .04448 .62225 .06430 .916 .0604 .0402 .0766 .0644 -.0252 -.0138 .0267 |
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Cu3' .04458 .62225 .06430 .084 .0604 .0402 .0766 .0644 -.0252 -.0138 .0267 |
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Ag4 .03192 .85960 .05493 .0417 .0351 .0411 .0487 .0050 -.0056 -.0077 |
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Ag5 .16076 .00213 .06933 .929 .0505 .0714 .0252 .0552 .0014 .0295 -.0018 |
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Cu5' .16076 .00213 .06933 .071 .0505 .0714 .0252 .0552 .0014 .0295 -.0018 |
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Ag6 .18442 .49998 .05078 .0352 .0366 .0325 .0364 -.0004 .0116 -.0001 |
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Ag7 .28741 .10329 .05266 .0383 .0338 .0364 .0446 .0060 -.0023 -.0097 |
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Ag8 .28577 .37499 .06294 .0457 .0396 .0453 .0522 -.0155 .0016 .0078 |
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Ag9 .29077 .63252 .06172 .941 .0596 .0535 .0659 .0593 .0328 -.0106 -.0232 |
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Cu9' .29077 .63252 .06172 .059 .0596 .0535 .0659 .0593 .0328 -.0106 -.0232 |
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Ag10 .28734 .89735 .05653 .0402 .0327 .0389 .0490 -.0055 -.0045 .0085 |
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Ag11 .42857 .25102 .05590 .0473 .0573 .0320 .0525 -.0028 .0034 -.0002 |
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Ag12 .41678 .74641 .06010 .0657 .1095 .0289 .0590 -.0052 .0117 .0031 |
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Ag13 .16044 .00663 .19801 .0459 .0216 .0657 .0506 -.0063 .0063 -.0136 |
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Ag14 .34579 .02325 .18229 .0859 .0254 .1977 .0347 -.0119 -.0019 -.0022 |
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Ag15 .46263 .00806 .19693 .0495 .0430 .0726 .0330 .0118 .0099 .0071 |
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Ag16 .09995 .19356 .19867 .0472 .0474 .0522 .0421 .0072 -.0088 -.0123 |
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Ag17 .22640 .17523 .19588 .0452 .0557 .0416 .0384 -.0002 .0116 -.0033 |
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Ag18 .41216 .20300 .18558 .0540 .0256 .0900 .0463 -.0014 .0018 .0167 |
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Ag19 .05164 .37683 .19673 .0409 .0511 .0263 .0452 -.0132 -.0142 .0024 |
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Ag20 .17326 .37439 .19283 .0437 .0436 .0494 .0381 -.0033 .0008 .0091 |
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Ag21 .28943 .36069 .19433 .0460 .0483 .0373 .0524 .0210 .0098 .0129 |
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Ag22 .39990 .41778 .19354 .0574 .0626 .0752 .0346 -.0245 .0012 -.0111 |
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Ag23 .06335 .63587 .18914 .0531 .0672 .0387 .0533 .0251 -.0201 -.0074 |
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Ag24 .18965 .63290 .18610 .0699 .1107 .0665 .0323 .0576 -.0054 -.0078 |
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Ag25 .31689 .60230 .19004 .0700 .0988 .0728 .0384 -.0557 .0152 -.0076 |
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Ag26 .46399 .59426 .18455 .0758 .1439 .0488 .0348 -.0536 -.0087 .0062 |
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Ag27 .01927 .90582 .18457 .0574 .0786 .0428 .0509 -.0298 .0147 -.0124 |
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Ag28 .13125 .81215 .19650 .0614 .1067 .0421 .0354 .0098 -.0132 .0053 |
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Ag29 .25823 .84371 .19034 .0812 .1531 .0500 .0402 .0503 -.0172 -.0109 |
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Ag30 .41478 .80609 .18661 .0559 .0299 .0995 .0384 .0095 -.0024 .0061 |
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Cu1 0 .23864 .25 .0235 .0282 .0289 .0135 0 -.0014 0 |
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Cu2 0 .75232 .25 .0327 .0413 .0406 .0162 0 .0000 0 |
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Cu3 .24348 .50459 .24966 .0242 .0285 .0296 .0145 -.0006 .0003 .0019 |
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As1 .16645 .24708 .04970 .930 .0195 .0201 .0195 .0190 -.0001 -.0004 -.0005 |
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Sb1' .16645 .24708 .04970 .070 .0195 .0201 .0195 .0190 -.0001 -.0004 -.0005 |
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As2 .16620 .75572 .05088 .931 .0200 .0212 .0203 .0186 .0007 -.0008 .0006 |
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Sb2' .16620 .75572 .05088 .069 .0200 .0212 .0203 .0186 .0007 -.0008 .0006 |
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As3 .41985 -.00414 .05004 .901 .0198 .0197 .0205 .0193 -.0002 .0009 -.0018 |
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Sb3' .41985 -.00414 .05004 .099 .0198 .0197 .0205 .0193 -.0002 .0009 -.0018 |
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As4 .41230 .49968 .05034 .0175 .0183 .0173 .0170 .0004 -.0017 -.0004 |
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S1 .12189 .14351 .09778 .0231 .0221 .0175 .0296 -.0024 .0026 -.0004 |
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S2 .13555 .37008 .09207 .0218 .0193 .0171 .0289 .0000 .0022 .0016 |
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S3 .24279 .23817 .09531 .0220 .0170 .0196 .0293 -.0007 .0007 -.0006 |
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S4 .13607 .63134 .09189 .0234 .0218 .0175 .0309 -.0017 .0004 .0012 |
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S5 .12198 .85957 .10001 .0222 .0182 .0228 .0258 .0033 .0003 .0016 |
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S6 .24214 .75954 .09680 .0241 .0180 .0198 .0343 .0002 -.0017 -.0021 |
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S7 .49319 -.00210 .10211 .0230 .0165 .0266 .0260 .0012 -.0004 -.0003 |
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S8 .37853 .11319 .08794 .0232 .0230 .0159 .0308 .0020 -.0040 -.0020 |
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S9 .37997 .38082 .09695 .0246 .0262 .0186 .0291 -.0042 -.0009 .0000 |
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S10 .49259 .50245 .08778 .0233 .0185 .0238 .0278 -.0002 .0003 .0030 |
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S11 .38047 .61128 .10335 .0247 .0215 .0214 .0313 .0019 .0038 -.0051 |
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S12 .37612 .88934 .09639 .0246 .0225 .0185 .0328 -.0036 -.0029 .0047 |
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S13 .23004 -.0038 -.00040 .0361 .0273 .0575 .0235 -.0035 -.0023 .0010 |
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S14 .49211 .7730 .00161 .0529 .085 .0443 .0293 .0132 -.0044 -.0057 |
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S15 .07378 .01467 .23222 .0270 .0200 .0350 .0260 -.0039 .0007 -.0030 |
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S16 .24874 .00795 .16090 .0228 .0198 .0334 .0151 .0017 .0001 -.0009 |
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S17 .00330 .24723 .16047 .0223 .0264 .0259 .0147 -.0039 .0021 .0004 |
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S18 .32881 .22833 .22997 .0262 .0265 .0268 .0254 .0057 .0016 .0038 |
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S19 .09980 .50260 .23060 .0253 .0303 .0217 .0239 -.0017 -.0010 .0002 |
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S20 .24643 .49580 .15991 .0214 .0284 .0210 .0150 .0020 -.0006 .0001 |
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S21 .00032 .74878 .16020 .0228 .0245 .0241 .0196 .0014 -.0024 .0014 |
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S22 .33248 .75324 .23170 .0291 .0312 .0317 .0244 -.0040 .0004 .0002 |
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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) |
  |
|
Pearceite |
|
Bindi L, Evain M, Menchetti S |
|
Acta Crystallographica B62 (2006) 212-219 |
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Temperature dependence of the silver distribution in the |
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crystal structure of natural pearceite, (Ag,Cu)16(As,Sb)2S11 |
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Sample: T = 15 K |
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Locality: Clara mine, Black Forest, Germany |
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_database_code_amcsd 0009933 |
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7.3890 7.3890 11.816 90 90 120 P-3m1 |
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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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As 1/3 2/3 .40976 .596 .0144 .0148 .0148 .0138 .0074 0 0 |
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Sb 1/3 2/3 .409764 .404 .0144 .0148 .0148 .0138 .0074 0 0 |
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Ag1 .2989 .14946 .38540 .538 .0301 .0418 .0237 .0310 .0209 -.0223 -.0112 |
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Cu1 .298921 .149461 .385401 .462 .0301 .0418 .0237 .0310 .0209 -.0223 -.0112 |
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Ag2 .3606 .2215 .1239 .152 .0175 |
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Ag3 .3341 .3675 .1109 .225 .0346 |
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Ag4 .4475 .5525 .1133 .1057 .069 .084 .084 .020 .027 -.012 .012 |
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Ag5 .3568 .2954 .1228 .102 .0162 |
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Ag6 .251 .3821 .1211 .218 .050 .095 .0240 .0192 .0223 -.020 -.0039 |
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Cu2 0 0 0 .0195 .0252 .0252 .0082 .0126 0 0 |
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S1 0 0 .1829 .0208 .0251 .0251 .0123 .0125 0 0 |
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S2 .0152 .50762 .31195 .0204 .0175 .0199 .0230 .0087 .0022 .0011 |
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S3 2/3 1/3 .0210 .0358 .0409 .0409 .0254 .0205 0 0 |
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S4 .0861 0 .5 1/6 .018 .015 .029 .014 .014 .0000 .000 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
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Pearceite |
|
Bindi L, Evain M, Menchetti S |
|
Acta Crystallographica B62 (2006) 212-219 |
|
Temperature dependence of the silver distribution in the |
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crystal structure of natural pearceite, (Ag,Cu)16(As,Sb)2S11 |
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Sample: T = 120 K |
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Locality: Clara mine, Black Forest, Germany |
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_database_code_amcsd 0009934 |
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7.3721 7.3721 11.8104 90 90 120 P-3m1 |
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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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As 1/3 2/3 .40833 .5896 .01518 .01564 .01564 .0142 .00782 0 0 |
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Sb 1/3 2/3 .40833 .4104 .01518 .01564 .01564 .0142 .00782 0 0 |
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Ag1 .29992 .14996 .38548 .6724 .0361 .0493 .0274 .0387 .0247 -.0156 -.0078 |
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Cu1 .29992 .14996 .38548 .3276 .0361 .0493 .0274 .0387 .0247 -.0156 -.0078 |
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Ag2 .3567 .226 .12401 .324 .263 .0224 .50 .0230 -.055 .0021 -.003 |
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Ag3 .2857 .3745 .1160 .376 .0674 .106 .0315 .0310 .0092 -.0249 -.0007 |
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Ag4 .4538 -.092 .1137 .101 .083 .105 .130 .021 .065 -.0100 -.020 |
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Cu2 0 0 0 .0191 .0243 .0243 .0086 .01216 0 0 |
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S1 0 0 .18297 .0192 .0241 .0241 .0095 .0120 0 0 |
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S2 .01678 .50839 .31254 .0191 .0159 .0186 .0219 .00796 .0032 .00161 |
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S3 2/3 1/3 .0206 .0346 .0378 .0378 .0282 .0189 0 0 |
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S4 .0853 0 .5 1/6 .0179 .0138 .029 .0162 .0144 -.0018 -.0035 |
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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) |
  |
|
Pearceite |
|
Bindi L, Evain M, Menchetti S |
|
Acta Crystallographica B62 (2006) 212-219 |
|
Temperature dependence of the silver distribution in the |
|
crystal structure of natural pearceite, (Ag,Cu)16(As,Sb)2S11 |
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Sample: T = 300 K |
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Locality: Clara mine, Black Forest, Germany |
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_database_code_amcsd 0009935 |
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7.3876 7.3876 11.8882 90 90 120 P-3m1 |
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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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As 1/3 2/3 .40748 .590 .02317 .0242 .0242 .0211 .01210 0 0 |
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Sb 1/3 2/3 .40748 .410 .02317 .0242 .0242 .0211 .01210 0 0 |
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Ag1 .3009 .15043 .38526 .672 .0528 .0676 .0404 .0596 .0338 -.0021 -.0011 |
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Cu1 .3009 .15043 .38526 .328 .0528 .0676 .0404 .0596 .0338 -.0021 -.0011 |
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Ag2 .3566 .240 .1233 .366 .345 .0388 .62 .0447 -.082 .0064 -.018 |
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Ag3 .2921 .3808 .1174 .384 .119 .194 .110 .0490 .072 -.0287 .0002 |
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Cu2 0 0 0 .0282 .0350 .0350 .0148 .0175 0 0 |
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S1 0 0 .18164 .0267 .0324 .0324 .0154 .0162 0 0 |
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S2 .01656 .50828 .31324 .0269 .0219 .0251 .0325 .0109 .0009 .00045 |
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S3 2/3 1/3 .0174 .0428 .0437 .0437 .0411 .0219 0 0 |
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S4 0 0 .5 .114 .157 .157 .028 .0787 0 0 |
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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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