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Epidote |
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Gabe E J, Portheine J C, Whitlow S H |
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American Mineralogist 58 (1973) 218-223 |
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A reinvestigation of the epidote structure: Confirmation of the iron location |
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sample HEP |
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_database_code_amcsd 0000308 |
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8.8877 5.6275 10.1517 90 115.383 90 P2_1/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .33959 .75 .04766 .00434 .00411 .00490 0 .00186 0 |
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Si2 .68429 .25 .27454 .00522 .00436 .00541 0 .00224 0 |
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Si3 .18393 .75 .31837 .00399 .00483 .00468 0 .00204 0 |
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Ca1 .75715 .75 .15156 .01115 .00770 .00855 0 .00665 0 |
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Ca2 .60486 .75 .42399 .00993 .01667 .00660 0 .00278 0 |
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Al1 0 0 0 .00427 .00331 .00520 -.00234 .00177 .00042 |
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Al2 0 0 .5 .00459 .00390 .00618 0 .00204 -.00005 |
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Fe3 .29386 .25 .22419 .84 .00482 .00643 .00625 0 .00182 0 |
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Al3 .29386 .25 .22419 .16 .00482 .00643 .00625 0 .00182 0 |
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H .043 .25 .325 |
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O1 .23425 .99441 .04150 .00591 .00536 .01148 .00085 .00403 .00048 |
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O2 .30396 .98255 .35529 .00830 .00746 .00820 -.00293 .00381 -.00082 |
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O3 .79503 .01341 .33935 .00726 .00566 .01040 .00055 -.00013 -.00006 |
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O4 .05292 .25 .12948 .00664 .00501 .00562 0 .00220 0 |
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O5 .04158 .75 .14534 .00606 .00574 .00532 0 .00146 0 |
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O6 .06715 .75 .40688 .00858 .00581 .00963 0 .00633 0 |
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O7 .51486 .75 .18053 .00636 .01055 .00816 0 .00067 0 |
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O8 .52547 .25 .30809 .01030 .01595 .01613 0 .00984 0 |
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O9 .62769 .25 .09895 .01745 .02118 .00782 0 .00753 0 |
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O10 .08228 .25 .42852 .00805 .00528 .00882 0 .00502 0 |
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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
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|
Epidote |
|
Gabe E J, Portheine J C, Whitlow S H |
|
American Mineralogist 58 (1973) 218-223 |
|
A reinvestigation of the epidote structure: Confirmation of the iron location |
|
sample LEP |
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_database_code_amcsd 0000309 |
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8.8802 5.6043 10.1511 90 115.455 90 P2_1/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .75972 .75 .15373 .01127 .00944 .00885 0 .00629 0 |
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Ca2 .60660 .75 .42363 .01032 .01609 .00721 0 .00333 0 |
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Si1 .33880 .75 .04804 .00485 .00528 .00471 0 .00173 0 |
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Si2 .68054 .25 .27507 .00595 .00560 .00502 0 .00202 0 |
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Si3 .18304 .75 .31686 .00476 .00611 .00468 0 .00214 0 |
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Al1 0 0 0 .00557 .00471 .00581 -.00048 .00197 -.00031 |
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Al2 0 0 .5 .00549 .00464 .00599 .00028 .00181 .00017 |
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Al3 .29085 .25 .22415 .60 .00472 .00669 .00574 0 .00162 0 |
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Fe3 .29095 .25 .22415 .40 .00472 .00669 .00574 0 .00162 0 |
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O1 .23427 .99603 .04377 .00683 .00662 .01011 .00067 .00375 .00079 |
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O2 .30189 .98442 .35306 .00838 .00926 .00728 -.00268 .00390 -.00133 |
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O3 .79037 .01259 .34346 .00675 .00611 .01011 .00075 -.00049 -.00051 |
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O4 .05360 .25 .13082 .00691 .00620 .00430 0 .00222 0 |
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O5 .04009 .75 .14389 .00634 .00609 .00407 0 .00186 0 |
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O6 .06242 .75 .40295 .00792 .00604 .00734 0 .00511 0 |
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O7 .51600 .75 .17858 .00640 .00995 .00789 0 .00141 0 |
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O8 .51639 .25 .30150 .01241 .01338 .01708 0 .01108 0 |
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O9 .63540 .25 .10181 .02130 .02206 .00855 0 .00944 0 |
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O10 .07498 .25 .42501 .00916 .00609 .00699 0 .00544 0 |
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H .079 .25 .338 |
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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
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Zinkenite |
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Portheine J C, Nowacki W |
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Zeitschrift fur Kristallographie 141 (1975) 79-96 |
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Refinement of the crystal structure of zinckenite, Pb6Sb14S27 |
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Sample: Bolivar mine, Cerro Bonete, Bolivia |
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_database_code_amcsd 0010769 |
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22.148 22.148 4.333 90 90 120 P6_3 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb1 .5365 .2434 .238 3.24 .0016 .0018 .058 .00065 .0020 .0010 |
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Pb2 0 0 .365 .19 4.6 |
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Pb3 0 0 .125 .18 1.8 |
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Sb4 .1994 .0399 .775 .50 3.72 .0014 .0037 .042 .00095 .0045 .008 |
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Pb4 .1994 .0399 .775 .38 3.72 .0014 .0037 .042 .00095 .0045 .008 |
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Sb1 .4002 .0551 .769 2.04 .0013 .0014 .032 .0008 .0040 .0075 |
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Sb2 .3484 .2430 .744 2.93 .0014 .0014 .049 .00015 .005 .0025 |
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Sb3 .5178 .4090 .768 1.99 .0009 .0011 .038 .00035 -.0035 -.0055 |
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S1 .127 .115 .76 .75 |
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S2 .314 .031 .321 2.0 |
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S3 .498 .082 .356 1.3 |
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S4 .276 .172 .349 1.8 |
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S5 .443 .320 .165 1.8 |
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S6 .435 .179 .824 1.1 |
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S7 .635 .233 .735 1.3 |
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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
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| |
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