Paravauxite
Gatta G D, Vignola P, Meven M
Mineralogical Magazine 78 (2014) 841-850
On the complex H-bonding network in paravauxite, Fe2+Al2(PO4)2(OH)2*8H2O:
A single-crystal neutron diffraction study
Locality: Siglo Veinte mine, Potosi Department, Bolivia
_database_code_amcsd 0020472
CELL PARAMETERS: 5.2400 10.5670 6.9680 106.820 110.770 72.230
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 336.356
Density (g/cm3): 2.347
MAX. ABS. INTENSITY / VOLUME**2: 6.425572395
RIR: 0.892
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
8.98 86.50 9.8524 0 1 0 2
13.88 100.00 6.3789 0 0 1 2
14.93 13.64 5.9335 0 -1 1 2
18.01 25.36 4.9262 0 2 0 2
18.50 51.56 4.7952 -1 -1 1 2
18.59 23.96 4.7723 1 0 0 2
18.74 18.86 4.7361 1 1 0 2
19.71 1.65 4.5042 -1 0 1 2
21.45 8.36 4.1418 -1 -2 1 2
22.46 8.17 3.9579 -1 1 0 2
22.82 21.90 3.8966 1 2 0 2
24.49 13.56 3.6347 -1 1 1 2
24.99 2.15 3.5639 0 2 1 2
26.39 5.55 3.3772 1 0 1 2
26.98 1.91 3.3050 -1 -1 2 2
27.15 4.80 3.2841 0 3 0 2
27.47 14.92 3.2474 1 1 1 2
27.59 1.52 3.2333 0 -1 2 2
27.91 18.28 3.1965 0 -3 1 2
27.97 59.23 3.1895 0 0 2 2
28.20 18.84 3.1642 -1 -2 2 2
28.84 32.38 3.0953 -1 2 0 2
29.32 6.16 3.0466 1 3 0 2
30.12 3.22 2.9668 0 -2 2 2
31.32 10.46 2.8563 1 2 1 2
31.33 32.90 2.8548 -1 2 1 2
32.13 1.90 2.7862 -1 -3 2 2
32.93 6.58 2.7197 1 -2 1 2
33.12 6.99 2.7045 0 3 1 2
34.71 38.18 2.5845 -1 -4 1 2
34.93 2.01 2.5686 -2 -2 1 2
36.13 9.51 2.4859 -2 0 1 2
36.33 7.78 2.4730 0 -4 1 2
37.09 1.67 2.4237 1 4 0 2
37.51 7.04 2.3976 -2 -2 2 2
37.66 1.29 2.3887 -2 -1 2 2
37.70 9.11 2.3862 2 0 0 2
37.89 3.03 2.3746 -2 -3 1 2
38.00 6.77 2.3680 2 2 0 2
38.00 2.01 2.3679 -1 -4 2 2
38.25 14.76 2.3531 1 0 2 2
39.26 1.51 2.2950 1 -3 1 2
39.29 1.36 2.2931 -1 2 2 2
39.30 2.28 2.2923 -1 3 1 2
39.62 12.74 2.2747 -2 -3 2 2
39.72 4.53 2.2691 1 1 2 2
40.04 2.87 2.2521 -2 0 2 2
41.12 2.29 2.1952 -1 0 3 2
41.91 3.22 2.1558 1 -2 2 2
42.52 6.12 2.1263 0 0 3 2
42.75 9.22 2.1150 0 -2 3 2
42.77 6.36 2.1142 -2 -4 1 2
43.24 5.08 2.0922 1 2 2 2
43.38 6.13 2.0858 0 3 2 2
43.71 2.34 2.0709 -2 -4 2 2
44.00 5.43 2.0580 2 1 1 2
44.37 1.48 2.0417 1 4 1 2
44.91 5.27 2.0182 -2 -2 3 2
45.04 2.19 2.0127 -1 1 3 2
45.08 14.91 2.0111 -1 4 0 2
45.66 1.33 1.9870 -2 -1 3 2
45.77 2.35 1.9823 -2 2 1 2
45.85 5.07 1.9789 -2 2 0 2
45.93 2.44 1.9759 -1 -4 3 2
46.14 7.61 1.9675 -2 -3 3 2
46.45 2.89 1.9549 2 -1 1 2
46.62 4.67 1.9483 2 4 0 2
46.77 2.96 1.9421 1 -4 1 2
48.02 1.03 1.8948 -1 4 1 2
48.30 1.41 1.8843 -2 0 3 2
49.32 1.44 1.8475 2 3 1 2
50.06 3.16 1.8220 0 2 3 2
50.20 5.13 1.8174 -2 2 2 2
50.56 4.18 1.8054 -1 2 3 2
51.69 2.64 1.7683 -1 -5 3 2
51.94 5.94 1.7604 1 0 3 2
52.62 6.61 1.7394 -1 -2 4 2
53.66 1.20 1.7081 1 1 3 2
53.79 1.64 1.7043 1 -2 3 2
54.00 1.39 1.6981 -3 -1 2 2
54.17 1.25 1.6932 -3 -3 1 2
54.82 1.65 1.6746 0 -6 1 2
54.85 3.42 1.6736 1 6 0 2
55.00 2.21 1.6697 1 4 2 2
55.02 2.70 1.6691 -1 4 2 2
55.19 2.94 1.6644 1 -5 1 2
55.28 2.73 1.6617 -3 0 1 2
55.62 1.94 1.6525 -2 -2 4 2
56.00 9.31 1.6421 0 6 0 2
56.11 3.35 1.6392 0 3 3 2
56.14 1.07 1.6383 -2 -3 4 2
56.32 2.79 1.6334 -2 -6 2 2
56.41 6.91 1.6312 -3 -4 2 2
56.61 1.99 1.6258 -2 -6 1 2
56.61 3.12 1.6258 -3 0 2 2
56.69 5.05 1.6237 2 2 2 2
57.00 3.12 1.6157 -1 -4 4 2
57.34 1.36 1.6068 -1 5 1 2
57.68 3.58 1.5982 0 -6 2 2
57.82 2.47 1.5947 0 0 4 2
57.98 3.03 1.5908 3 0 0 2
58.32 1.21 1.5821 -2 -4 4 2
58.72 8.52 1.5723 2 -2 2 2
58.81 3.22 1.5702 -3 -1 3 2
59.58 5.45 1.5517 -2 0 4 2
59.75 2.99 1.5477 -2 4 0 2
59.98 1.86 1.5422 -2 -6 3 2
60.30 1.34 1.5348 2 3 2 2
60.70 1.12 1.5258 -2 4 1 2
60.91 1.14 1.5210 2 5 1 2
61.62 2.14 1.5052 -1 -7 1 2
61.86 2.74 1.5000 3 4 0 2
62.62 1.49 1.4834 0 -4 4 2
62.63 2.80 1.4832 2 -4 1 2
65.03 2.16 1.4341 0 2 4 2
65.34 3.00 1.4281 2 4 2 2
65.38 1.47 1.4274 -2 4 2 2
65.93 1.05 1.4168 -3 -6 2 2
66.28 1.81 1.4102 3 3 1 2
66.30 2.23 1.4097 -3 2 2 2
66.35 1.18 1.4089 -3 -4 4 2
67.10 2.24 1.3950 1 0 4 2
67.20 3.37 1.3931 -2 -6 4 2
67.41 2.64 1.3893 -1 -6 4 2
68.72 1.22 1.3660 -2 -3 5 2
69.07 3.33 1.3599 2 -4 2 2
69.51 2.13 1.3523 0 6 2 2
71.22 2.53 1.3241 1 7 1 2
71.29 2.29 1.3229 1 6 2 2
72.30 2.09 1.3068 -4 -2 2 2
72.31 2.52 1.3067 -4 -3 2 2
72.62 1.04 1.3019 0 -7 3 2
73.20 3.24 1.2931 -2 0 5 2
73.25 1.36 1.2922 -2 -8 2 2
73.78 1.49 1.2843 -4 -4 2 2
74.06 1.64 1.2801 -3 -7 3 2
74.66 1.76 1.2713 -4 -2 3 2
75.79 2.13 1.2551 1 -6 3 2
75.96 1.13 1.2527 3 -3 1 2
77.50 1.12 1.2317 -2 -6 5 2
78.06 2.76 1.2242 -1 4 4 2
78.30 1.15 1.2210 -3 -1 5 2
79.01 1.31 1.2119 2 8 0 2
79.90 1.24 1.2006 0 7 2 2
80.94 1.28 1.1878 -3 2 4 2
82.77 1.36 1.1660 -1 -8 4 2
83.04 1.03 1.1630 2 1 4 2
83.79 1.31 1.1545 2 -2 4 2
85.84 1.10 1.1321 -1 8 0 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.