Hodgesmithite
Elliott P
Acta Crystallographica B75 (2019) 1069-1075
Hodgesmithite, (Cu,Zn)6Zn(SO4)2(OH)10*3H2O, a new copper zinc sulfate mineral
with a unique, decorated, interrupted-sheet structure
Locality: Broken Hill, New South Wales, Australia
_database_code_amcsd 0021214
8.1905 8.1905 7.0990 90 90 120 P3
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  .37307 .46800 .21533 .968 .0123  .0095  .0088  .0182  .0043 -.0001 -.00019
Cu2  .24679 .05639 .21189 .952 .0118  .0101  .0084  .0163  .0042 -.0001   .0005
Zn      2/3    1/3 .97881      .0116  .0091  .0091  .0166  .0046   .000    .000
S1      2/3    1/3  .4807      .0169  .0149  .0149  .0207  .0075   .000    .000
S2        0      0  .7911      .0128  .0123  .0123  .0138  .0062   .000    .000
O1    .5184  .1423  .4149      .0287   .026   .031   .032   .016   .000    .003
O2      2/3    1/3  .6953       .027   .028   .028   .025  .0140   .000    .000
O3    .1797  .1608  .7238      .0201  .0172  .0183  .0211  .0061  .0013   .0019
O4        0      0  .0006      .0153   .018   .018   .010  .0089   .000    .000
O-H1  .4134  .2817  .0521      .0159  .0111  .0135   .023  .0060  .0020   .0027
O-H2  .1119  .4249  .0872      .0167  .0166  .0137   .020  .0079  .0013   .0009
O-H3  .1772  .2276  .3403      .0155  .0110   .018   .018  .0074 -.0004  -.0010
O-H4    1/3    2/3  .3540      .0180   .017   .017   .020  .0086   .000    .000
Wat   .1111  .5056  .7158      .0345   .022   .037   .028   .003 -.0011    .002
H1     .349   .256  -.062       .050
H2     .123   .443  -.039       .050
H3     .183   .201   .458       .050
H4      1/3    2/3   .488       .050