|
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 |
|
Sample: T = 15 K |
|
Locality: Clara mine, Black Forest, Germany |
|
_database_code_amcsd 0009933 |
|
7.3890 7.3890 11.816 90 90 120 P-3m1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As 1/3 2/3 .40976 .596 .0144 .0148 .0148 .0138 .0074 0 0 |
|
Sb 1/3 2/3 .409764 .404 .0144 .0148 .0148 .0138 .0074 0 0 |
|
Ag1 .2989 .14946 .38540 .538 .0301 .0418 .0237 .0310 .0209 -.0223 -.0112 |
|
Cu1 .298921 .149461 .385401 .462 .0301 .0418 .0237 .0310 .0209 -.0223 -.0112 |
|
Ag2 .3606 .2215 .1239 .152 .0175 |
|
Ag3 .3341 .3675 .1109 .225 .0346 |
|
Ag4 .4475 .5525 .1133 .1057 .069 .084 .084 .020 .027 -.012 .012 |
|
Ag5 .3568 .2954 .1228 .102 .0162 |
|
Ag6 .251 .3821 .1211 .218 .050 .095 .0240 .0192 .0223 -.020 -.0039 |
|
Cu2 0 0 0 .0195 .0252 .0252 .0082 .0126 0 0 |
|
S1 0 0 .1829 .0208 .0251 .0251 .0123 .0125 0 0 |
|
S2 .0152 .50762 .31195 .0204 .0175 .0199 .0230 .0087 .0022 .0011 |
|
S3 2/3 1/3 .0210 .0358 .0409 .0409 .0254 .0205 0 0 |
|
S4 .0861 0 .5 1/6 .018 .015 .029 .014 .014 .0000 .000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
