Kleinite
Giester G, Mikenda W, Pertlik F
Neues Jahrbuch fur Mineralogie, Monatshefte 1996 (1996) 49-56
Kleinite from Terlingua, Brewster County, Texas: Investigations
by single crystal X-ray diffraction, and vibrational spectroscopy
Note: sample heated at T = 130 C for 1 day to transform crystal to hexagonal
Locality: Terlingua, Brewster County, Texas, USA
_database_code_amcsd 0014883
6.762 6.762 11.068 90 90 120 P6_3/mmc
atom      x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg1     1/3    2/3   .25            .027   .027   .005  .0135      0      0
Hg2      .5      0     0            .024   .021   .008  .0120      0      0
N       1/3    2/3 .0625     .020
S1        0      0   .25 .25        .090   .090   .283   .045      0      0
S2   -.0364 -.0728   .25 .25        .036   .064   .019   .018      0      0
Cl        0      0     0            .072   .072   .072   .036      0      0
Wat1  .6062  .8031   .75  .1        .039   .064   .026   .019      0      0
Wat2  .6682  .8341 .0000  .1 .038
Wat3    1/3    2/3   .75  .1 .089