Parnauite
Mills S J, Kampf A R, McDonald A M, Bindi L, Christy A G, Kolitsch U, Favreau G
European Journal of Mineralogy 25 (2013) 693-704
The crystal structure of parnauite: a copper arsenate-sulphate
with translational disorder of structural rods
Locality: Cap Garonne, Var, France
_database_code_amcsd 0020148
3.0088 14.212 14.890 90 90 90 Pmn2_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    0  .1382  .2329     .0322   .019   .062   .015      0      0   .006
Cu2   .5 -.2571  .0528     .0410   .043   .052   .028      0      0  -.005
Cu3    0 -.3280  .8717     .0380   .025   .074   .015      0      0  -.001
Cu4   .5  .0714  .0559     .0431   .023   .090   .016      0      0   .000
Cu5    0 -.2135  .2260  .5  .062   .072   .073   .041      0      0   .006
Cu6    0  .0401 -.1313  .5  .051   .064   .072   .016      0      0  -.023
As1    0 -.1062  .1873  .5  .043   .037   .074   .019      0      0  -.007
As2    0 -.0777 -.0768  .5  .031   .038   .035   .019      0      0  -.003
O1    .5   .164   .147      .037
O2     0  -.085  -.186      .032
O3     0   .014   .129      .036
O4     0  -.187  -.019      .073
O5    .5 -.3589 -.0478      .017
O6    .5  -.168   .148      .053
O7     0  -.309   .121      .082
O8    .5  -.021  -.049      .031
O9     0  -.107   .303      .070
O10    0   .294   .298      .039
O11A   0   .185  -.040 .15   .08
O11B   0   .115  -.020 .85  .085
Wat1   0  -.320   .335  .5   .12
Wat2   0   .393   .051  .5  .036
Wat3   0  -.501   .823 .15  .044
Wat4A  0  -.377   .146 .15   .06
Wat4B  0  -.482   .163 .35   .03
Wat5  .5  -.453  -.120  .5  .034