Hughes J M, Jolliff B L, Gunter M E
American Mineralogist 91 (2006) 1547-1552
The atomic arrangement of merrillite from the Fra Mauro Formation, Apollo 14
lunar mission: The first structure of merrillite from the Moon
10.2909 10.2909 36.8746 90 90 120 R3c
atom x y z occ Uiso
Na 0 0 .8137 .23 .07
Ca1 .2763 .1398 .67489 .0247
Ca2 .2745 .1376 .56760 .0195
Ca3 .3805 .1887 .76925 .0251
Mg 0 0 0 .80 .0144
Fe 0 0 0 .20 .0144
P1 0 0 .73247 .93 .0193
P2 .3151 .1390 .86556 .88 .011
P3 .3429 .1539 .96904 .89 .016
O1 0 0 .6905 .027
O2 -.0075 .1375 .7450 .032
O3 .2713 .0915 .8262 .031
O4 .247 .233 .8792 .029
O5 .2717 -.001 .8881 .021
O6 .4887 .245 .8694 .029
O7 .3776 .189 .0092 .028
O8 .3993 .0509 .9564 .028
O9 .4141 .3040 .9491 .026
O10 .1723 .084 .9622 .026
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
10.3499 10.3499 37.115 90 90 120 R3c
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
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