Whitlockite
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: Heated at 500 degrees C
_database_code_amcsd 0004625
10.3597 10.3597 37.161 90 90 120 R3c
atom        x      y      z  occ   Uiso
CaIIB1 .28105 .14678 .56529      .01021
CaIIB2 .38763 .18007 .76769      .01061
CaIB   .29466 .15765 .67217      .02021
CaIIA'      0      0   .794 .036    .09
Mg          0      0      0 .916  .0080
Fe          0      0      0 .084  .0080
PB1    .31784 .14377 .86430      .00866
PB2    .35111 .15826 .96727      .00865
OIB1   .27761 .09418 .82513       .0180
OIIB1  .24689 .23367 .87760       .0143
OIIB3  .27196 .00130 .88626       .0116
OIIB5  .48942 .24224 .86896       .0146
OIIB2  .39968 .04875 .95375       .0139
OIIB4  .41539 .30422 .94649       .0157
OIIB6  .17993 .07962 .96367       .0129
OIB2   .40458 .19726 .00667       .0149
OHIA        0      0 .79602 .831  .0261
PA          0      0 .75359 .926  .0111
PA'         0      0  .7308 .074   .002
OIA'        0      0  .6889 .169   .048
OIIA'  -.0200  .1305 .74108  .76  .0105