Pseudojohannite
Plasil J, Fejfarova K, Wallwork K S, Dusek M, Skoda R, Sejkora J, Cejka J,
Veselovsky F, Hlousek J, Meisser N, Brugger J
American Mineralogist 97 (2012) 1796-1803
Crystal structure of pseudojohannite, with a revised formula,
Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12
Locality: White Canyon, Utah, USA
_database_code_amcsd 0019492
8.6744 8.8692 10.0090 72.105 70.544 76.035 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)
U1    .42802 .34306 .46462      .0077  .0064  .0066  .0105 -.0020 -.0028 -.0013
U2    .09013 .67616 .47194      .0083  .0062  .0064  .0125 -.0023 -.0030 -.0011
Cu1       .5      0      0 .983 .0145   .018   .014   .012  .0011 -.0063 -.0052
Cu2   -.0072  .1684 -.0069 .977 .0167  .0143  .0165  .0161 -.0044  .0003 -.0027
S      .7502  .0037  .4954      .0103   .008   .009   .016  -.005  -.004 -.0019
Wat1   .5709  .0786  .1290       .017   .026   .017   .014  -.005  -.010  -.003
O2     .3516  .5917  .4981       .012
OH3   -.1183 -.0130  .1189       .018   .010   .025   .018  -.009  -.001  -.002
Wat4   .2056  .1178  .1158       .024   .023   .025   .022  -.005  -.007  -.003
O5     .1505  .4083  .5051       .010
O6     .4796  .4253  .2692       .016   .021   .013   .011   .002  -.004  -.006
Wat7    .311   .420   .062       .040   .042   .034   .046  -.007  -.022   .000
O8     .3804  .2360  .6585       .014   .015   .014   .011  -.001  -.004  -.004
Wat9   .4754 -.2140  .1374       .019   .021   .016   .018   .002  -.004  -.011
Wat10  -.160   .321  .1013       .031   .033   .028   .024  -.012   .005  -.004
O11    .1621  .7036  .2755       .016   .017   .015   .016  -.005  -.004   .000
O12    .6657  .1326  .3982       .016
Wat13  .1013  .3492 -.1471       .024   .023   .020   .025  -.004  -.001  -.005
O14    .0156  .6725  .6640       .019   .013   .025   .017  -.005  -.002   .000
O15    .7932  .0726  .5931       .015
O16    .6428 -.1150  .5913       .013
O17    .8984 -.0764  .4047       .014