Mahnertite
Pushcharovsky D Y, Zubkova N V, Teat S J, Maclean E J, Sarp H
European Journal of Mineralogy 16 (2004) 687-692
Crystal structure of mahnertite
_database_code_amcsd 0007079
10.037 10.037 23.739 90 90 90 I4/mmm
atom      x      y      z  occ  Uiso
Na       .5      0  .3700  .88  .025
Ca       .5      0  .3700  .12  .025
Cu1      .5  .2707 .28092      .0164
Cu2       0      0  .3783      .0201
Cu3    .184   .184  .4556 .125  .047
As   .20754 .20754 .32286      .0143
O1    .3704  .1708  .3235       .023
O2    .1400  .1400  .2634       .015
O3    .1370  .1370  .3794       .022
Wat1   .340      0  .4443        .16
Wat2     .5    .31   .451  .25   .17
Wat3     .5    .23   .441  .25   .15
Wat4   .626   .305   .449 .125   .09
Cl5      .5     .5  .3433       .026
Cl6       0      0     .5   .5  .028
Wat6      0      0     .5   .5  .028