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Samsonite |
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Bindi L, Evain M |
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American Mineralogist 92 (2007) 886-891 |
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Gram-Charlier development of the atomic displacement factors into mineral |
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structures: The case of samsonite, Ag4MnSb2S6 |
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Locality: St. Andreasberg, Hartz Mountains, Germany |
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Sample: T = 100 K |
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10.3702 8.0647 6.6400 90 92.676 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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Ag1 .31040 .23340 .57288 .01516 .01272 .02214 .01073 -.00658 .00194 -.00165 |
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Ag2 .49642 .96855 .76015 .02510 .0464 .01153 .01732 -.01374 .00128 -.00302 |
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Mn 0 0 .5 .00674 .0066 .0071 .0064 .0002 -.0003 .0004 |
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Sb .18530 .16043 .03909 .00684 .00748 .00654 .00644 .00079 -.00021 .00031 |
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S1 .09442 .26837 .34485 .0078 .0096 .0067 .0069 -.0001 .0001 .0002 |
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S2 .51780 .67229 .66814 .0078 .0081 .0087 .0065 .0007 -.0004 .0006 |
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S3 .26500 .41764 -.11521 .0080 .0080 .0070 .0090 -.0015 -.0001 .0005 |
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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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Samsonite |
|
Bindi L, Evain M |
| |
American Mineralogist 92 (2007) 886-891 |
|
Gram-Charlier development of the atomic displacement factors into mineral |
|
structures: The case of samsonite, Ag4MnSb2S6 |
|
Locality: St. Andreasberg, Hartz Mountains, Germany |
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Sample: T = 300 K |
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10.3861 8.1108 6.6630 90 92.639 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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Ag1 .30710 .24815 .57129 .04309 .03112 .0704 .02837 -.01957 .00785 -.00721 |
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Ag2 .49587 .97000 .76079 .06270 .1105 .0302 .0476 -.0348 .0056 -.01010 |
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Mn 0 0 .5 .01673 .0168 .0178 .0157 .0005 .00148 .00025 |
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Sb .184035 .16448 .03847 .01579 .01591 .01611 .01541 .00237 .00141 .00059 |
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S1 .09171 .26901 .34369 .01627 .0197 .0146 .0147 .0009 .0023 .0010 |
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S2 .51791 .67354 .66932 .01590 .0154 .0184 .0139 .0008 .00080 .0018 |
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S3 .26400 .42128 -.11123 .01807 .0157 .0167 .0219 -.0029 .0008 .0019 |
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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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Samsonite |
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Bindi L, Evain M |
| |
American Mineralogist 92 (2007) 886-891 |
|
Gram-Charlier development of the atomic displacement factors into mineral |
|
structures: The case of samsonite, Ag4MnSb2S6 |
|
Locality: St. Andreasberg, Hartz Mountains, Germany |
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Sample: T = 300 K, refined using Gram-Charlier displacement factors |
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10.3861 8.1108 6.6630 90 92.639 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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Ag1 .3080 .2438 .5723 .04309 .03112 .0704 .02837 -.01957 .00785 -.00721 |
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Ag2 .5014 .9660 .7626 .06270 .1105 .0302 .0476 -.0348 .0056 -.01010 |
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Mn 0 0 .5 .01673 .0168 .0178 .0157 .0005 .00148 .00025 |
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Sb .184035 .16448 .03847 .01579 .01591 .01611 .01541 .00237 .00141 .00059 |
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S1 .09171 .26901 .34369 .01627 .0197 .0146 .0147 .0009 .0023 .0010 |
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S2 .51791 .67354 .66932 .01590 .0154 .0184 .0139 .0008 .00080 .0018 |
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S3 .26400 .42128 -.11123 .01807 .0157 .0167 .0219 -.0029 .0008 .0019 |
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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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Samsonite |
|
Bindi L, Evain M |
| |
American Mineralogist 92 (2007) 886-891 |
|
Gram-Charlier development of the atomic displacement factors into mineral |
|
structures: The case of samsonite, Ag4MnSb2S6 |
|
Locality: St. Andreasberg, Hartz Mountains, Germany |
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Sample: T = 400 K |
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10.3838 8.1364 6.6737 90 92.640 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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Ag1 .30561 .2533 .57050 .0597 .0425 .0982 .0392 -.0263 .0101 -.0106 |
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Ag2 .4960 .97038 .7609 .0822 .1404 .0414 .0647 -.0455 .0051 -.0142 |
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Mn 0 0 .5 .0220 .0208 .0239 .0214 .0000 .0006 .0002 |
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Sb .18327 .16638 .03790 .02142 .02068 .02229 .02127 .00301 .00091 .00066 |
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S1 .09021 .26934 .34277 .0222 .0264 .0211 .0192 .0012 .0026 .0021 |
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S2 .51847 .67407 .67019 .0214 .0209 .0241 .0190 .0013 .0005 .0025 |
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S3 .26330 .42261 -.1099 .0241 .0209 .0225 .0288 -.0040 -.0004 .0019 |
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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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| |
|
Samsonite |
|
Bindi L, Evain M |
| |
American Mineralogist 92 (2007) 886-891 |
|
Gram-Charlier development of the atomic displacement factors into mineral |
|
structures: The case of samsonite, Ag4MnSb2S6 |
|
Locality: St. Andreasberg, Hartz Mountains, Germany |
|
Sample: T = 400 K, refined using Gram-Charlier displacement factors |
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10.3838 8.1364 6.6737 90 92.640 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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Ag1 .3055 .2507 .5723 .0597 .0425 .0982 .0392 -.0263 .0101 -.0106 |
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Ag2 .5001 .9647 .7622 .0822 .1404 .0414 .0647 -.0455 .0051 -.0142 |
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Mn 0 0 .5 .0220 .0208 .0239 .0214 .0000 .0006 .0002 |
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Sb .18327 .16638 .03790 .02142 .02068 .02229 .02127 .00301 .00091 .00066 |
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S1 .09021 .26934 .34277 .0222 .0264 .0211 .0192 .0012 .0026 .0021 |
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S2 .51847 .67407 .67019 .0214 .0209 .0241 .0190 .0013 .0005 .0025 |
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S3 .26330 .42261 -.1099 .0241 .0209 .0225 .0288 -.0040 -.0004 .0019 |
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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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Samsonite |
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Edenharter A, Nowacki W |
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Zeitschrift fur Kristallographie 140 (1974) 87-99 |
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Verfeinerung der kristallstruktur von samsonit (SbS3)2Ag2Ag2Mn |
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Locality: Andreasberg, Harz, Germany |
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10.362 8.101 6.647 90 92.63 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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Mn 0 0 .5 .0034 .0054 .0122 .0003 .00095 .00045 |
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Sb .18420 .16426 .03853 .0025 .0036 .0105 .0006 .0005 .0002 |
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Ag1 .30762 .2455 .5724 .0052 .0191 .0170 -.00445 .0023 -.00205 |
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Ag2 .4966 .9691 .7606 .0196 .0087 .0229 -.0083 .0020 -.00385 |
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S1 .0919 .2689 .3432 .0035 .0039 .0110 .0001 .0006 .0005 |
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S2 .9823 .1737 .8311 .0027 .0051 .0100 .0001 .0003 -.00055 |
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S3 .7643 .0793 .3882 .0023 .0045 .0153 .0007 .0003 -.0012 |
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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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