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: Tip Top Pegmatite, Custer County, South Dakota
_database_code_amcsd 0004623
10.3477 10.3477 37.077 90 90 120 R3c
atom        x      y      z  occ   Uiso
CaIIB1 .28086 .14684 .56524      .01064
CaIIB2 .38857 .18041 .76783      .01180
CaIB   .29316 .15677 .67249      .02103
CaIIA'      0      0   .804 .061    .16
Mg          0      0      0 .986  .0092
Fe          0      0      0 .014  .0092
PB1    .31789 .14369 .86415      .00928
PB2    .35105 .15782 .96743      .00905
OIB1   .27590 .09227 .82502       .0176
OIIB1  .24752 .23409 .87751       .0153
OIIB3  .27268 .00219 .88649       .0119
OIIB5  .48953 .24215 .86839       .0127
OIIB2  .39930 .04767 .95395       .0141
OIIB4  .41485 .30319 .94625       .0158
OIIB6  .17944 .07920 .96426       .0110
OIB2   .40594 .19802 .00678       .0145
OHIA        0      0 .79603 .890  .0281
PA          0      0 .75338 .961  .0137
OIIA   -.0254  .1266  .7394  .66  .0115
PA'         0      0  .7306 .039   .000
OIA'        0      0  .6900 .110   .035
OIIA'  -.0111  .1350  .7463  .34  .0138