Wairakite
Seryotkin Y V, Joswig W, Bakakin V V, Belitsky I A, Fursenko B A
European Journal of Mineralogy 15 (2003) 475-484
High-temperature crystal structure of wairakite
Sample: Wai-20, T = 20 C
_database_code_amcsd 0006990
13.666 13.623 13.531 90 90.50 90 I2/a
atom        x      y      z  occ  Uiso
CaM2   .01193 .24673 .11485 .959 .0255
NaM2   .01193 .24673 .11485 .041 .0255
SiT11A .11226 .15742 .41763      .0074
SiT11B .87163 .33854 .40589      .0093
SiT12A .42243 .13119 .15962      .0086
SiT12B .59705 .37346 .16780      .0089
AlT2A  .17585 .41138 .13758      .0087
AlT2B  .84746 .08517 .11737      .0076
O11A    .1096  .3467  .2278      .0152
O11B    .9093  .1461  .2135      .0166
O12A    .3829  .1374  .4660      .0167
O12B    .5983  .3498  .4796      .0131
O21A    .2014  .1169  .3564      .0201
O21B    .7760  .4009  .3800      .0174
O22A    .1281  .4620  .3866      .0178
O22B    .8353  .0353  .3540      .0169
O31A    .3995  .2236  .0893      .0209
O31B    .6446  .2788  .1150      .0211
O32A    .4874  .3901  .1279      .0195
O32B    .5405  .1214  .1638      .0229
WatA    .1352  .1282  .1361  .95  .077
WatB    .8872  .3726  .1156  .87  .072