Stephanite
Leitl M, Pfitzner A, Bindi L
Mineralogical Magazine 73 (2009) 17-26
Preferred ion diffusion pathways and activation energies for Ag in the
crystal structure of stephanite, Ag5SbS4
Locality: Freiberg District, Saxony, Germany
Note: y-coordinate of Sb altered by Bindi, June 2009
_database_code_amcsd 0014585
7.8329 12.458 8.5272 90 90 90 Cmc2_1
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb       0 .83095 .5143 .0305  .0323  .0323  .0268      0      0  .0009
Ag1  .1856 .12312 .6010 .0508  .0559  .0576  .0389 -.0102 -.0004 -.0109
Ag2  .3139  .0648 .2849 .0676  .0670  .0750  .0609  .0197  .0101 -.0239
Ag3     .5  .8549 .4456 .0587  .0512  .0577   .067      0      0 -.0184
S1      .5  .0276 .5917 .0335   .033   .038   .030      0      0   .005
S2       0  .0142 .4096 .0305   .031   .030   .031      0      0   .001
S3   .7706  .7670 .3464 .0326  .0324   .031   .034 -.0050 -.0029  .0020