Hg3S2Cl1.5Br.5
Pervukhina N V, Vasil'ev V I, Magarill S A, Borisov S V, Naumov D Y
The Canadian Mineralogist 44 (2006) 1239-1246
Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2
(Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of
Hg3S2Cl2-xBrx (x ~ 0.5)
Sample: compound I
_database_code_amcsd 0006123
16.841 9.128 9.435 90 90.08 90 C2/m
atom     x      y     z  occ Uiso
Hg1     .5 -.2412    .5      .028
Hg2  .3749 -.2252 .7993      .023
Hg3  .2225    -.5 .7699      .035
Hg4    .25   -.25    .5      .029
Hg5  .5265    -.5 .7774      .034
S1   .5147 -.2361 .7564      .026
S2   .2303 -.2403 .7487      .033
Cl1  .1315    -.5 .0150      .032
Cl2  .6255    -.5 .0161      .034
Br1  .3734      0 .5175 .625 .042
Cl3  .3734      0 .5175 .375 .042
Br2  .3736    -.5 .5274 .623 .035
Cl4  .3736    -.5 .5274 .377 .035