Domerockite
Elliott P, Kolitsch U, Willis A C, Libowitzky E
Mineralogical Magazine 77 (2013) 509-522
Description and crystal structure of domerockite, Cu4(AsO4)(AsO3OH)(OH)3*H2O
a new mineral from the Dome Rock mine, South Australia
Locality: Dome Rock mine, South Australia
_database_code_amcsd 0020093
5.378 8.962 9.841 75.26 83.56 79.97 P-1
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    .2346 .50780  .25502 .99 .0163  .0171  .0186  .0123  .0005 -.0003 -.0067
Zn1    .2346 .50780  .25502 .01 .0163  .0171  .0186  .0123  .0005 -.0003 -.0067
Cu2        0     .5       0 .99 .0173  .0190  .0217  .0114 -.0008  .0000 -.0092
Zn2        0     .5       0 .01 .0173  .0190  .0217  .0114 -.0008  .0000 -.0092
Cu3       .5     .5      .5 .99 .0180  .0187  .0218  .0133  .0000 -.0004 -.0091
Zn3       .5     .5      .5 .01 .0180  .0187  .0218  .0133  .0000 -.0004 -.0091
Cu4    .8647 .89452  .12655 .99 .0200  .0195  .0195  .0159  .0024  .0028 -.0019
Zn4    .8647 .89452  .12655 .01 .0200  .0195  .0195  .0159  .0024  .0028 -.0019
Cu5    .6054 .99330  .63698 .99 .0184  .0177  .0218  .0146 -.0040 -.0005 -.0009
Zn5    .6054 .99330  .63698 .01 .0184  .0177  .0218  .0146 -.0040 -.0005 -.0009
H4       .82    .87    .824 .91   .05
As1   .39852 .74792 -.04397 .98 .0168  .0174  .0172  .0147 -.0012  .0018 -.0048
P1    .39852 .74792 -.04397 .01 .0168  .0174  .0172  .0147 -.0012  .0018 -.0048
Si1   .39852 .74792 -.04397 .01 .0168  .0174  .0172  .0147 -.0012  .0018 -.0048
As2   .91275 .75427  .45714 .98 .0165  .0167  .0171  .0142 -.0007  .0012 -.0042
P2    .91275 .75427  .45714 .01 .0165  .0167  .0171  .0142 -.0007  .0012 -.0042
Si2   .91275 .75427  .45714 .01 .0165  .0167  .0171  .0142 -.0007  .0012 -.0042
O1     .6940  .7452  -.0061     .0199   .020   .019   .021  -.005   .002  -.005
O2     .3873  .7611  -.2179     .0215   .027   .021   .018  -.005   .000  -.007
O3     .2722  .5885   .0502     .0187   .018   .019   .018   .000  -.001  -.009
O4     .2002  .8987   .0101     .0184   .018   .017   .018   .000   .002  -.003
O5     .9953  .7407   .2917     .0185   .020   .019   .013  -.002   .001   .000
O6     .1728  .7529   .5390     .0218   .017   .025   .022  -.003  -.002  -.006
O7     .7050  .9172   .4645     .0195   .019   .021   .017  -.006   .000  -.001
O8     .7687  .5999   .5447     .0202   .024   .020   .014   .004  -.004  -.008
OOH9   .5264  .5782   .2998     .0168   .017   .020   .014  -.004  -.001  -.004
OOH10 -.0521  .4282   .2067     .0178   .021   .020   .013  -.002   .001  -.011
OOH11  .5294  .9030   .2168     .0208   .022   .028   .012  -.005   .000  -.005
Wat12  .9021  .8875   .7360     .0217   .022   .028   .014  -.001   .001  -.007
H1       .49   .684    .302       .05
H2     -.217   .466    .233       .05
H3       .43    .93     .13       .05