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
Note: theoretical data
_database_code_amcsd 0020149
6.02 13.99 15.42 90 90 90.01 P2_1
atom      x     y     z occ
As1   .8750 .8941 .1856
As2   .8750 .9220 .9215
Cu1   .8750 .1382 .2334
Cu2   .1250 .7450 .0516
Cu3   .8750 .6733 .8732
Cu4   .1250 .0716 .0551  .5
Cu5   .3750 .7884 .2232
Cu6   .3750 .0429 .8701
Cu1a  .3750 .1382 .2334
Cu2a  .6250 .7450 .0516  .5
Cu3a  .3750 .6733 .8732
Cu4a  .6250 .0716 .0551
O1    .1250 .1717 .1526
O2    .8750 .9121 .8114
O3    .8750 .0081 .1330
O4    .8750 .8082 .9732
O5    .1250 .6438 .9568
O6    .1250 .8391 .1482
O7    .8750 .6960 .1210  .5
O8    .1250 .9784 .9534
O9    .8750 .8931 .3025
O10   .8750 .2934 .2978
O11   .8750 .1410 .9810  .5
O12   .6250 .5500 .0700  .5
O13   .6250 .2950 .0350  .5
O1a   .6250 .1717 .1526
O2a   .3750 .9121 .8114
O3a   .3750 .0081 .1330
O4a   .3750 .8082 .9732
O5a   .6250 .6438 .9568
O6a   .6250 .8391 .1482
O7a   .3750 .6960 .1210  .5
O7ab  .4250 .6800 .1000  .5
O7b   .8300 .6800 .1000
O8a   .6250 .9784 .9534
O9a   .3750 .8931 .3025
O10a  .3750 .2934 .2978
O11a  .3750 .1410 .9810  .5
O11ab .4250 .1450 .0300  .5
O11b  .8250 .1450 .0300  .5
OW1   .1250 .3980 .0580
OW2   .8750 .5050 .8360
OW3   .1250 .4980 .1720
OW4   .8750 .6838 .3103
OW1a  .6250 .3980 .0580 .5
OW2a  .3750 .5050 .8360
OW3a  .6250 .4980 .1720 .5
OW4a  .3750 .6838 .3103
S1    .6250 .6500 .0550 .5
S2    .6250 .1950 .0580 .5