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Pearceite |
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Bindi L, Evain M, Menchetti S |
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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 pearcite, (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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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)
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View JMOL 3-D Structure
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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 |
|
crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 |
|
Sample: T = 120 K |
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Locality: Clara mine, Black Forest, Germany |
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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
|
| |
|
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 pearcite, (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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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
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