Merrillite
Hughes J M, Jolliff B L, Rakovan J
American Mineralogist 93 (2008) 1300-1305
The crystal chemistry of whitlockite and merrillite and the
dehydrogenation of whitlockite to merrillite
Locality: synthetic
Note: Formed through dehydrogenation of synthetic whitlockite
by heating at 1050 degrees C for 24 hours
_database_code_amcsd 0004626
10.3499 10.3499 37.115 90 90 120 R3c
atom         x       y      z  occ   Uiso
CaIIB1  .27347  .14232 .56805      .00999
CaIIB2  .38364  .17687 .76923      .01083
CaIB    .27226  .14701 .67506      .01981
CaIIA'       0       0 .81260 .443  .0147
Mg           0       0      0 .935  .0086
Fe           0       0      0 .065  .0086
PB1     .31343  .13900 .86563      .00944
PB2     .34384  .15160 .96931      .00837
OIB1    .26151  .08320 .82711       .0210
OIIB1   .24269  .22849 .87966       .0182
OIIB3   .27624 -.00043 .88827       .0114
OIIB5   .48536  .24023 .86822       .0148
OIIB2   .39666  .04391 .95679       .0140
OIIB4   .41985  .30068 .94937       .0163
OIIB6   .17435  .07693 .96245       .0112
OIB2    .37816  .18167 .00954       .0130
PA'          0       0 .73451 .964  .0092
OIA'         0       0 .69336       .0169
OIIA'  -.00408  .13809 .74822       .0224