Killalaite
Taylor H F W
Mineralogical Magazine 41 (1977) 363-369
The crystal structure of killalaite
Locality: Killala Bay, Ireland
_database_code_amcsd 0014467
6.807 15.459 6.811 90 97.76 90 P2_1/m
atom     x      y     z occ Biso
Ca1  .3314 -.0942 .9308     1.24
Ca2  .7190 -.0996 .3330     1.89
Ca3  .0125    .25 .3375     1.86
Ca4  .9299    .25 .8332     2.08
Ca5   .520    .25  .487 .43  1.2
Si1  .8131 -.0874 .8374     1.00
Si2  .7804  .0833 .6008      .93
O1    .677 -.0587  .002      1.2
O2    .690 -.1463  .662      1.9
OH2   .690 -.1463  .662 .57  1.9
O3    .004 -.1440  .919      1.0
O4    .672  .0489  .392      2.7
O5    .633  .1316  .731      1.6
O6    .957  .1504  .576      1.1
O7    .884  .0004  .727      2.5
OH8   .280    .25  .762      3.0
OH9   .660    .25  .156      2.0