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: Majuba Hill, Nevada, USA
_database_code_amcsd 0020147
3.0113 14.259 14.932 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  .1379  .2337     .0170  .0096  .0332  .0082      0      0  .0020
Cu2   .5 -.2549  .0515     .0244  .0228  .0326  .0176      0      0 -.0008
Cu3    0 -.3268  .8733     .0222  .0150  .0334  .0183      0      0  .0016
Cu4   .5  .0716  .0548     .0242  .0135   .051  .0082      0      0 -.0035
Cu5    0 -.2118  .2232  .5  .048   .070   .047   .026      0      0  -.004
Cu6    0  .0423 -.1297  .5 .0180   .025   .028   .001      0      0  -.002
As1    0 -.1059  .1853  .5 .0257   .029   .030   .018      0      0  -.004
As2    0 -.0780 -.0789  .5 .0154   .012   .022   .012      0      0  -.001
O1    .5  .1721  .1517      .016
O2     0 -.0875 -.1905      .025
O3     0  .0064  .1356      .029
O4     0 -.1956 -.0236      .044
O5    .5 -.3575 -.0423      .026
O6    .5 -.1605  .1511      .033
O7     0  -.298   .119      .084
O8    .5 -.0191 -.0467      .029
O9     0 -.1060  .3002      .044
O10    0  .2927  .2970      .017
O11    0   .142  -.020      .087
Wat1   0   .396   .061      .129
Wat2   0  -.500   .830      .109
Wat3   0  -.503   .177       .17
Wat4   0  -.316   .310      .150