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
CELL PARAMETERS: 10.3499 10.3499 37.1150 90.000 90.000 120.000
SPACE GROUP: R3c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 3443.122
Density (g/cm3): 3.091
MAX. ABS. INTENSITY / VOLUME**2: 11.73127004
RIR: 1.236
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.96 9.43 8.0711 0 1 2 3
13.74 19.34 6.4466 1 0 4 3
14.32 3.93 6.1858 0 0 6 1
17.13 28.52 5.1750 1 1 0 6
20.39 7.56 4.3564 2 0 2 3
22.03 8.75 4.0356 0 2 4 3
25.98 25.98 3.4291 1 0 10 3
26.42 3.59 3.3738 2 1 1 6
26.75 8.80 3.3327 1 2 2 6
27.66 3.61 3.2251 1 1 9 6
27.68 2.39 3.2233 2 0 8 3
28.04 47.82 3.1823 2 1 4 6
29.91 13.35 2.9878 3 0 0 3
31.29 100.00 2.8585 0 2 10 3
32.73 18.10 2.7360 1 2 8 6
33.30 4.33 2.6904 0 3 6 3
33.30 3.54 2.6904 3 0 6 3
33.76 4.59 2.6549 1 1 12 6
34.67 64.04 2.5875 2 2 0 6
35.31 4.68 2.5422 0 1 14 3
35.44 5.91 2.5327 2 2 3 6
35.89 13.25 2.5022 2 1 10 6
36.22 3.45 2.4804 1 3 1 6
37.45 1.69 2.4013 1 3 4 6
37.62 1.80 2.3907 1 2 11 6
37.68 6.03 2.3871 2 2 6 6
38.18 4.49 2.3573 3 1 5 6
39.49 1.16 2.2817 2 0 14 3
40.15 7.51 2.2457 1 0 16 3
40.41 2.72 2.2323 1 1 15 6
40.55 1.50 2.2247 0 4 2 3
41.36 1.20 2.1831 2 1 13 6
41.46 11.00 2.1782 4 0 4 3
42.05 1.51 2.1489 0 3 12 3
42.05 13.02 2.1489 3 0 12 3
43.34 1.83 2.0878 1 2 14 6
43.83 3.16 2.0655 1 3 10 6
43.91 2.06 2.0619 0 0 18 1
43.95 1.21 2.0601 0 2 16 3
44.11 2.28 2.0532 3 2 1 6
44.32 4.38 2.0438 2 3 2 6
44.92 6.90 2.0178 0 4 8 3
45.16 4.25 2.0076 3 2 4 6
45.31 1.16 2.0014 3 1 11 6
45.72 3.64 1.9846 2 2 12 6
47.04 1.61 1.9320 1 4 3 6
47.39 21.33 1.9183 4 0 10 3
48.42 16.70 1.8799 2 3 8 6
48.83 7.21 1.8649 1 4 6 6
48.83 6.35 1.8649 4 1 6 6
50.20 4.45 1.8172 0 1 20 3
50.76 5.67 1.7987 3 2 10 6
51.19 5.35 1.7843 5 0 2 3
51.73 3.59 1.7672 4 1 9 6
51.95 7.55 1.7601 0 5 4 3
53.09 2.50 1.7250 3 3 0 6
53.44 26.34 1.7146 2 0 20 3
54.04 1.74 1.6970 0 3 18 3
54.04 4.77 1.6970 3 0 18 3
54.07 1.94 1.6960 1 3 16 6
54.20 1.25 1.6923 2 1 19 6
54.91 4.89 1.6722 5 0 8 3
55.11 1.59 1.6664 2 4 4 6
55.59 1.33 1.6531 1 4 12 6
55.59 1.47 1.6531 4 1 12 6
56.54 1.66 1.6276 1 2 20 6
56.65 2.96 1.6248 2 3 14 6
57.05 1.48 1.6142 0 5 10 3
57.15 1.87 1.6117 4 0 16 3
57.95 2.48 1.5914 3 3 9 6
57.96 3.49 1.5912 4 2 8 6
58.16 2.08 1.5862 5 1 4 6
60.04 7.16 1.5410 2 4 10 6
60.13 7.49 1.5388 3 2 16 6
60.91 2.52 1.5209 1 5 8 6
61.39 3.24 1.5102 2 1 22 6
61.56 1.27 1.5065 3 3 12 6
62.14 3.06 1.4939 6 0 0 3
63.97 3.77 1.4553 4 3 4 6
64.98 1.71 1.4353 5 2 0 6
65.28 2.34 1.4293 0 4 20 3
65.81 1.65 1.4191 1 4 18 6
66.59 3.04 1.4044 3 4 8 6
66.93 1.46 1.3981 2 5 6 6
66.93 3.52 1.3981 5 2 6 6
68.05 4.18 1.3777 2 3 20 6
68.72 1.25 1.3660 1 6 1 6
71.01 1.62 1.3274 2 2 24 6
71.28 1.09 1.3231 3 3 18 6
71.75 1.76 1.3155 1 2 26 6
72.62 1.25 1.3019 5 2 12 6
73.15 2.87 1.2937 4 4 0 6
74.09 2.42 1.2797 3 5 1 6
74.24 2.47 1.2774 5 3 2 6
76.08 4.01 1.2511 4 2 20 6
76.60 1.14 1.2438 4 3 16 6
76.71 1.21 1.2423 5 1 19 6
76.87 2.69 1.2402 2 6 2 6
77.09 1.48 1.2372 0 0 30 1
77.30 1.29 1.2343 5 3 8 6
77.48 1.56 1.2320 6 2 4 6
79.18 1.23 1.2097 6 0 18 3
80.47 1.88 1.1935 4 4 12 6
80.99 2.03 1.1872 7 1 0 6
81.75 2.27 1.1780 2 5 18 6
82.21 1.09 1.1726 2 3 26 6
82.89 1.01 1.1647 5 1 22 6
86.90 3.04 1.1210 7 0 16 3
87.32 2.43 1.1167 5 0 26 3
87.37 5.73 1.1161 2 2 30 6
87.57 1.65 1.1141 3 2 28 6
88.14 1.31 1.1084 7 1 12 6
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.