Neptunite
Kunz M, Armbruster T, Lager G A, Schultz A J, Goyette R J,
Lottermoser W, Amthauer G
Physics and Chemistry of Minerals 18 (1991) 199-213
Fe, Ti ordering and octahedral distortions in acentric neptunite:
temperature dependent X-ray and neutron structure refinements
and Mossbauer Spectroscopy
Sample: T = 110 K
Locality: San Benito, California, USA
_database_code_amcsd 0007531
CELL PARAMETERS: 16.4300 12.4360 9.9630 90.000 115.600 90.000
SPACE GROUP: Cc
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1835.838
Density (g/cm3): 3.285
MAX. ABS. INTENSITY / VOLUME**2: 7.668569322
RIR: 0.760
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.28 100.00 9.5256 1 1 0 2
11.51 40.37 7.6885 -1 1 1 2
15.32 13.13 5.7832 1 1 1 2
17.82 1.02 4.9768 -3 1 1 2
18.50 3.80 4.7953 -2 2 1 2
18.63 3.75 4.7628 2 2 0 2
19.36 7.67 4.5841 -1 1 2 2
19.76 30.42 4.4925 0 0 2 1
22.27 3.28 3.9920 1 3 0 2
23.14 4.17 3.8442 -2 2 2 2
23.31 20.19 3.8168 -1 3 1 2
23.44 1.63 3.7945 2 2 1 2
23.62 1.94 3.7663 -4 0 2 1
24.02 5.47 3.7043 4 0 0 1
25.45 63.53 3.5001 1 3 1 2
27.06 26.87 3.2951 -3 3 1 2
28.10 36.68 3.1752 3 3 0 2
28.12 52.26 3.1732 -1 3 2 2
28.26 4.43 3.1580 -5 1 1 2
28.65 1.27 3.1154 -1 1 3 2
28.93 28.14 3.0865 -5 1 2 2
29.60 14.96 3.0180 -3 3 2 2
30.42 6.69 2.9381 0 4 1 2
30.53 59.86 2.9283 -2 2 3 2
30.92 34.72 2.8916 2 2 2 2
31.02 30.78 2.8827 5 1 0 2
31.67 45.66 2.8253 1 3 2 2
32.41 11.40 2.7624 3 3 1 2
32.84 29.26 2.7272 -5 1 3 2
32.99 1.59 2.7153 -6 0 2 1
33.03 5.70 2.7121 3 1 2 2
34.17 3.29 2.6238 -2 4 2 2
35.01 4.07 2.5628 -3 3 3 2
35.31 16.23 2.5420 -1 3 3 2
36.09 27.64 2.4884 -6 2 2 2
36.24 1.61 2.4787 -4 4 1 2
36.30 27.24 2.4748 -6 2 1 2
36.52 16.88 2.4605 5 1 1 2
36.64 1.04 2.4529 1 5 0 2
36.75 1.22 2.4455 -4 0 4 1
36.81 2.12 2.4415 -3 1 4 2
37.30 1.62 2.4105 -1 5 1 2
37.51 7.77 2.3976 -4 4 2 2
37.78 3.26 2.3814 4 4 0 2
38.54 7.97 2.3360 -1 1 4 2
38.74 2.03 2.3244 1 5 1 2
38.86 1.71 2.3176 -5 3 3 2
39.09 11.01 2.3043 -7 1 2 2
39.13 3.30 2.3020 -5 1 4 2
39.31 2.26 2.2921 -2 2 4 2
39.67 3.46 2.2721 1 3 3 2
39.72 1.03 2.2691 -2 4 3 2
39.75 2.42 2.2674 2 2 3 2
39.87 1.53 2.2613 -3 5 1 2
39.98 7.17 2.2553 -7 1 1 2
40.14 1.49 2.2462 0 0 4 1
40.63 2.50 2.2207 -1 5 2 2
40.84 6.80 2.2096 -7 1 3 2
41.00 1.05 2.2012 -6 0 4 1
41.71 1.13 2.1655 -3 5 2 2
41.88 40.07 2.1570 0 4 3 2
42.08 1.39 2.1471 5 3 1 2
42.13 4.82 2.1449 3 1 3 2
43.27 3.84 2.0909 1 5 2 2
43.36 5.31 2.0867 7 1 0 2
43.62 13.74 2.0750 -6 2 4 2
43.87 2.52 2.0637 5 1 2 2
43.89 3.40 2.0629 -1 3 4 2
43.91 10.36 2.0621 1 1 4 2
44.11 16.11 2.0533 -8 0 2 1
44.42 1.57 2.0394 -5 3 4 2
44.49 9.34 2.0363 6 2 1 2
44.97 1.10 2.0158 -7 1 4 2
45.38 4.67 1.9984 -2 6 1 2
45.44 7.74 1.9960 2 6 0 2
45.86 4.81 1.9785 -5 5 1 2
46.13 4.91 1.9679 -1 5 3 2
46.27 2.66 1.9620 -3 1 5 2
46.31 2.96 1.9606 -5 5 2 2
47.02 1.56 1.9326 -5 1 5 2
47.07 1.69 1.9304 2 0 4 1
47.65 12.84 1.9084 -2 6 2 2
47.82 12.00 1.9022 2 6 1 2
48.28 2.05 1.8852 7 3 0 2
48.78 1.65 1.8669 1 3 4 2
48.90 4.69 1.8626 -1 1 5 2
48.95 4.09 1.8607 -2 2 5 2
49.70 1.83 1.8344 1 5 3 2
49.76 1.73 1.8324 -7 3 4 2
50.67 2.84 1.8015 -9 1 2 2
50.97 1.23 1.7917 -3 3 5 2
51.97 1.14 1.7597 -3 5 4 2
52.02 4.00 1.7581 -2 6 3 2
52.02 2.14 1.7581 3 1 4 2
52.27 7.86 1.7501 2 6 2 2
52.50 2.09 1.7429 5 1 3 2
53.05 1.34 1.7263 0 2 5 2
54.32 2.16 1.6887 -8 4 3 2
54.42 2.93 1.6860 -7 5 1 2
54.53 2.90 1.6827 1 1 5 2
54.72 1.93 1.6774 -8 4 1 2
54.79 5.94 1.6756 -4 4 5 2
55.10 2.78 1.6666 -7 5 3 2
55.35 2.30 1.6597 -4 0 6 1
55.42 3.40 1.6578 -7 3 5 2
55.58 4.29 1.6536 4 4 3 2
55.80 2.25 1.6475 -6 6 2 2
55.80 2.94 1.6475 -3 7 2 2
55.95 3.04 1.6436 -6 6 1 2
56.14 6.99 1.6384 3 5 3 2
56.36 2.62 1.6324 3 3 4 2
57.14 6.65 1.6120 7 5 0 2
57.53 1.47 1.6019 3 7 1 2
58.14 2.59 1.5866 -2 6 4 2
58.21 6.01 1.5849 -10 2 3 2
58.45 5.24 1.5790 -10 2 2 2
58.46 4.72 1.5786 -7 5 4 2
58.48 1.53 1.5783 2 6 3 2
58.53 1.73 1.5770 -6 2 6 2
58.60 4.11 1.5753 -7 1 6 2
59.23 5.92 1.5600 -3 7 3 2
59.41 1.89 1.5558 0 4 5 2
59.46 3.74 1.5545 0 8 0 2
59.55 3.10 1.5524 -3 5 5 2
59.79 4.73 1.5467 -1 1 6 2
59.80 1.72 1.5464 6 2 3 2
59.94 3.21 1.5432 -10 2 4 2
60.18 2.66 1.5377 -5 5 5 2
60.60 1.28 1.5280 -3 3 6 2
60.64 4.58 1.5271 -10 2 1 2
61.72 5.95 1.5030 7 5 1 2
61.90 21.60 1.4991 -8 4 5 2
61.97 10.32 1.4975 0 0 6 1
62.00 1.41 1.4968 3 7 2 2
62.85 1.39 1.4786 2 8 1 2
62.99 25.37 1.4756 8 4 1 2
63.31 1.84 1.4690 0 8 2 2
63.57 1.03 1.4636 -9 5 3 2
63.61 2.34 1.4628 -7 5 5 2
63.82 2.49 1.4584 -11 1 4 2
64.37 2.70 1.4472 7 1 3 2
64.45 4.17 1.4458 4 4 4 2
64.47 2.09 1.4453 3 5 4 2
64.57 1.53 1.4434 -8 6 3 2
65.70 2.71 1.4212 -9 5 4 2
65.75 1.24 1.4202 -2 6 5 2
65.96 2.89 1.4162 -11 1 1 2
65.97 1.18 1.4161 -7 7 2 2
66.07 1.11 1.4141 5 3 4 2
66.15 2.59 1.4126 2 6 4 2
66.58 2.17 1.4045 -7 7 1 2
66.83 2.11 1.3999 -11 1 5 2
67.16 1.45 1.3938 -8 6 4 2
67.44 3.51 1.3887 -7 1 7 2
67.57 2.59 1.3864 -4 8 3 2
67.86 4.22 1.3812 -6 2 7 2
67.92 2.17 1.3801 4 8 1 2
67.94 1.12 1.3798 7 5 2 2
68.04 2.15 1.3779 -5 5 6 2
68.16 8.14 1.3758 1 9 0 2
68.33 2.87 1.3728 9 5 0 2
68.41 2.37 1.3714 -3 5 6 2
68.59 3.94 1.3682 -1 9 1 2
69.15 2.08 1.3586 9 1 2 2
69.29 8.25 1.3560 6 2 4 2
69.54 2.97 1.3519 1 9 1 2
69.57 1.03 1.3513 1 3 6 2
69.61 7.72 1.3507 -9 5 5 2
70.29 1.18 1.3392 11 1 0 2
70.48 1.00 1.3361 -2 2 7 2
71.21 1.16 1.3242 -7 3 7 2
71.43 1.81 1.3206 -9 1 7 2
71.98 1.09 1.3119 -4 8 4 2
72.68 1.08 1.3010 1 9 2 2
73.43 3.57 1.2895 9 5 1 2
73.97 1.05 1.2814 -6 6 6 2
74.64 2.05 1.2716 -9 7 2 2
74.89 2.78 1.2680 -9 7 3 2
74.91 1.27 1.2677 -5 9 2 2
75.05 1.01 1.2656 -1 3 7 2
75.14 1.41 1.2643 2 6 5 2
75.73 1.36 1.2560 -10 2 7 2
75.77 1.05 1.2554 -12 0 6 1
76.14 1.41 1.2502 -9 7 1 2
76.57 2.22 1.2442 -12 4 4 2
76.88 1.37 1.2401 -9 7 4 2
76.93 5.39 1.2394 -8 8 2 2
77.07 2.51 1.2374 -12 4 2 2
77.10 2.27 1.2371 -5 1 8 2
77.61 1.67 1.2302 10 2 2 2
77.71 2.27 1.2289 9 1 3 2
77.85 1.14 1.2270 -2 10 1 2
77.89 1.02 1.2264 2 10 0 2
78.57 2.56 1.2175 4 0 6 1
78.67 2.34 1.2162 4 8 3 2
79.21 1.31 1.2093 -4 2 8 2
81.38 2.13 1.1825 1 3 7 2
84.10 1.85 1.1510 -10 2 8 2
86.36 2.18 1.1266 7 7 3 2
87.54 1.70 1.1144 -6 10 3 2
87.56 1.74 1.1142 -1 9 5 2
87.61 1.88 1.1137 1 7 6 2
87.91 1.07 1.1107 -2 4 8 2
89.16 2.29 1.0984 -7 7 7 2
89.89 1.60 1.0913 -8 8 6 2
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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.