Laachite
Whittle K R, Hyatt N C, Smith K L, Margiolaki I,
Berry F J, Knight K S, Lumpkin G R
American Mineralogist 97 (2012) 291-298
Combined neutron and X-ray diffraction determination
of disorder in doped zirconolite-2M
Note: CaZrFeNbO7, model 3
Locality: synthetic
_database_code_amcsd 0020831
CELL PARAMETERS: 12.6703 7.3783 11.5258 90.000 100.670 90.000
SPACE GROUP: C2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1058.867
Density (g/cm3): 4.918
MAX. ABS. INTENSITY / VOLUME**2: 56.49162388
RIR: 3.740
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.95 7.51 6.3476 1 1 0 4
14.23 1.42 6.2256 2 0 0 2
15.34 1.68 5.7746 -1 1 1 4
15.65 4.53 5.6633 0 0 2 2
16.64 7.17 5.3270 1 1 1 4
22.00 3.77 4.0406 1 1 2 4
23.10 5.07 3.8495 2 0 2 2
25.39 4.24 3.5078 0 2 1 4
26.30 10.28 3.3884 -1 1 3 4
27.02 3.31 3.2997 -3 1 2 4
27.06 6.95 3.2952 3 1 1 4
28.48 1.59 3.1339 -2 2 1 4
29.95 100.00 2.9838 2 2 1 4
30.09 50.36 2.9699 -4 0 2 2
31.60 39.61 2.8316 0 0 4 2
32.21 1.36 2.7787 -2 0 4 2
35.18 26.21 2.5509 -2 2 3 4
35.38 13.11 2.5368 4 0 2 2
41.92 1.10 2.1550 -4 2 3 4
43.58 2.16 2.0767 -6 0 2 2
44.26 1.38 2.0464 -3 3 2 4
44.29 2.45 2.0453 3 3 1 4
47.08 3.15 1.9304 0 2 5 4
47.26 1.70 1.9234 3 3 2 4
48.00 2.52 1.8954 4 2 3 4
48.21 2.39 1.8878 0 0 6 2
49.41 13.97 1.8446 0 4 0 2
49.75 28.43 1.8327 -6 2 1 4
50.57 2.79 1.8048 1 3 4 4
50.74 1.89 1.7994 -5 1 5 4
50.82 1.42 1.7967 -3 1 6 4
50.90 1.71 1.7941 3 1 5 4
51.75 20.81 1.7667 2 2 5 4
51.78 11.12 1.7656 -4 0 6 2
53.25 1.23 1.7202 2 0 6 2
55.22 1.76 1.6635 2 4 2 4
57.07 1.83 1.6137 5 3 2 4
57.21 1.03 1.6103 -7 1 4 4
57.43 1.25 1.6046 -1 1 7 4
58.94 10.30 1.5669 -4 4 2 4
59.38 4.81 1.5564 8 0 0 2
59.81 1.07 1.5462 -6 0 6 2
59.84 7.71 1.5456 0 4 4 4
60.09 7.95 1.5398 -6 2 5 4
60.19 7.66 1.5374 6 2 3 4
60.22 1.80 1.5368 -2 4 4 4
61.86 6.70 1.5000 -2 2 7 4
62.04 3.33 1.4960 4 0 6 2
62.23 5.75 1.4919 4 4 2 4
62.55 2.72 1.4849 -8 0 4 2
62.80 1.02 1.4797 -3 3 6 4
64.95 1.12 1.4358 -4 2 7 4
65.98 1.61 1.4158 0 0 8 2
67.40 1.09 1.3894 2 2 7 4
68.13 1.58 1.3763 -1 5 3 4
74.37 4.36 1.2755 -4 4 6 4
74.86 2.02 1.2684 8 0 4 2
80.34 2.80 1.1951 2 6 1 4
80.79 3.02 1.1895 8 4 0 4
81.01 3.06 1.1869 -10 2 3 4
83.13 2.07 1.1619 4 4 6 4
83.19 2.07 1.1613 -2 6 3 4
83.33 1.09 1.1596 -8 0 8 2
83.59 2.34 1.1567 -8 4 4 4
83.94 2.04 1.1527 10 2 1 4
85.68 1.31 1.1338 2 2 9 4
86.69 1.30 1.1231 0 4 8 4
86.86 1.28 1.1213 -6 2 9 4
87.04 1.28 1.1195 6 2 7 4
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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.