American Mineralogist Crystal Structure Database

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Owensite
Download hom/owensite.pdf
Szymanski J T
Download cm/vol33/CM33_671.pdf
The Canadian Mineralogist 33 (1995) 671-677
The crystal structure of owensite, (Ba,Pb)6(Cu,Fe,Ni)25S27, a new member of the
djerfisherite group
_database_code_amcsd 0005435
10.349 10.349 10.349 90 90 90 Pm3m
atom      x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1      .5     .5     .5 .5237        .0160  .0160  .0160      0      0      0
Fe1      .5     .5     .5 .4763        .0160  .0160  .0160      0      0      0
Cu2  .36416 .36416 .13806 .5237        .0167  .0167  .0217 -.0016  .0004  .0004
Fe2  .36416 .36416 .13806 .4763        .0167  .0167  .0217 -.0016  .0004  .0004
Ba        0      0 .30420 .9064        .0154  .0154  .0120      0      0      0
Pb    .0149  .0149  .2740 .0234 .0152
S1        0      0      0              .0139  .0139  .0139      0      0      0
S2   .24422     .5      0              .0138  .0147  .0133      0      0      0
S3       .5     .5 .25858              .0150  .0150  .0102      0      0      0
S4   .21703 .21703 .21703              .0160  .0160  .0160  .0023  .0023  .0023
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