Wairakite
Takeuchi Y, Mazzi F, Haga N, Galli E
American Mineralogist 64 (1979) 993-1001
The crystal structure of wairakite
_database_code_amcsd 0000740
13.692 13.643 13.560 90 90.5 90 I2/a
atom      x     y     z  occ Biso
Na11  .1318 .9997 .2561 .042 3.70
Na12a   .25 .1203     0 .034 2.20
Na12b   .75 .3763     0 .041 3.90
Ca2   .0115 .2474 .1160 .899 1.79
Na2   .0115 .2474 .1160 .059 1.79
Si11a .1122 .1580 .4175  .93 0.48
Al11a .1122 .1580 .4175  .07 0.48
Si11b .8714 .3381 .4056  .95 0.54
Al11b .8714 .3381 .4056  .05 0.54
Si12a .4221 .1310 .1599  .95 0.52
Al12a .4221 .1310 .1599  .05 0.52
Si12b .5971 .3728 .1682  .95 0.61
Al12b .5971 .3728 .1682  .05 0.61
Si2a  .1753 .4112 .1370  .16 0.54
Al2a  .1753 .4112 .1370  .84 0.54
Si2b  .8474 .0856 .1176  .16 0.53
Al2b  .8474 .0856 .1176  .84 0.53
O11a  .1099 .3484 .2274      1.25
O11b  .9095 .1464 .2139      1.20
O12a  .3834 .1376 .4660      1.16
O12b  .5983 .3501 .4791      1.02
O21a  .2029 .1165 .3575      1.54
O21b  .7763 .3999 .3796      1.45
O22a  .1282 .4626 .3863      1.41
O22b  .8355 .0357 .3548      1.34
O31a  .3976 .2243 .0891      1.53
O31b  .6444 .2780 .1144      1.55
O32a  .4868 .3896 .1280      1.65
O32b  .5405 .1218 .1639      1.46
Wat1  .1344 .1264 .1348      5.04
Watb  .8858 .3703 .1169      4.12