Grechishchevite
Pervukhina N V, Vasil'ev V I, Borisov S V, Magarill S A, Naumov D Y
The Canadian Mineralogist 41 (2003) 1445-1453
The crystal structure of a polymorph of Hg3S2Br1Cl.5I.5
Locality: synthetic
_database_code_amcsd 0005919
13.249 13.259 8.710 90 90 90 Pbnm
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg1   .3083  .4653  .2500 .045   .045   .046   .044   .001      0      0
Hg2   .1124  .3473 -.0087 .021   .021   .021   .022   .001   .000   .000
Hg3  -.0360  .1876  .2500 .049   .050   .048   .049   .000      0      0
Hg4   .1513  .6119 -.0064 .027   .027   .027   .027   .000   .000   .000
S1   -.0389  .2495 -.0160 .025   .027   .023   .024   .002  -.003   .003
S2    .2491  .4612 -.0109 .039   .038   .041   .038  -.002      0      0
Br1   .2108  .2129  .2500 .042   .041   .047   .037   .002      0      0
Br2   .2280  .2232 -.2500 .035   .035   .035   .036   .002      0      0
Cl1  -.0194 -.0205  .2500 .027   .025   .016   .040  -.005      0      0
I1   -.0004  .5030 -.2500 .032   .033   .031   .031   .000      0      0