Wesselsite
Chakoumakos B C, Fernandez-Baca J A, Boatner L A
Journal of Solid State Chemistry 103 (1993) 105-113
Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba)
by Rietveld analysis of neutron powder diffraction data
Note: gillespite structure
Locality: synthetic
_database_code_amcsd 0013766
CELL PARAMETERS: 7.3707 7.3707 15.5904 90.000 90.000 90.000
SPACE GROUP: P4/ncc
X-RAY WAVELENGTH: 1.541838
Cell Volume: 846.983
Density (g/cm3): 3.321
MAX. ABS. INTENSITY / VOLUME**2: 22.45981505
RIR: 2.202
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.35 32.17 7.7952 0 0 2 2
16.55 7.66 5.3557 1 0 2 8
20.50 19.85 4.3327 1 1 2 8
22.82 21.27 3.8976 0 0 4 2
25.86 41.01 3.4455 1 0 4 8
26.76 100.00 3.3318 2 0 2 8
27.66 15.97 3.2250 2 1 1 16
28.60 55.58 3.1213 1 1 4 8
29.42 54.80 3.0360 2 1 2 16
32.16 1.27 2.7836 2 1 3 16
33.46 23.99 2.6778 2 0 4 8
34.41 33.23 2.6059 2 2 0 4
36.35 7.64 2.4715 2 2 2 8
36.67 1.32 2.4506 1 0 6 8
38.42 6.94 2.3433 3 0 2 8
38.63 1.21 2.3308 3 1 0 8
38.72 32.03 2.3254 1 1 6 8
39.08 3.38 2.3052 3 1 1 16
40.39 8.96 2.2331 3 1 2 16
41.69 5.32 2.1663 2 2 4 8
44.39 4.87 2.0406 2 1 6 16
44.71 4.28 2.0269 3 2 1 16
45.33 21.48 2.0004 3 1 4 16
45.89 2.69 1.9774 3 2 2 16
46.61 4.80 1.9488 0 0 8 2
48.31 10.10 1.8841 1 0 8 8
48.78 3.56 1.8669 3 1 5 16
49.46 21.36 1.8427 4 0 0 4
49.54 1.61 1.8400 2 2 6 8
49.96 6.95 1.8254 1 1 8 8
50.41 11.71 1.8104 3 2 4 16
50.92 3.66 1.7933 4 0 2 8
51.45 4.53 1.7760 4 1 1 16
52.76 24.04 1.7351 3 1 6 16
54.08 1.09 1.6957 3 3 2 8
55.78 9.30 1.6481 4 2 0 8
56.65 5.66 1.6249 4 1 4 16
57.12 18.01 1.6125 4 2 2 16
57.21 1.45 1.6103 3 1 7 16
58.13 8.93 1.5868 3 3 4 8
59.20 1.42 1.5607 2 2 8 8
59.62 1.60 1.5509 4 1 5 16
60.72 2.16 1.5253 1 0 10 8
62.08 5.96 1.4951 3 1 8 16
63.38 2.89 1.4676 4 3 1 16
64.31 3.76 1.4485 4 3 2 16
64.52 4.93 1.4442 3 3 6 8
64.95 14.16 1.4358 2 0 10 8
65.70 1.33 1.4213 5 1 2 16
66.26 7.96 1.4106 3 2 8 16
67.22 3.65 1.3926 5 1 3 16
67.99 1.60 1.3788 5 0 4 8
69.34 8.11 1.3553 5 1 4 16
69.76 8.10 1.3481 5 2 2 16
70.31 3.35 1.3389 4 0 8 8
70.68 1.11 1.3327 4 3 5 16
71.63 4.07 1.3174 4 1 8 16
72.55 1.50 1.3030 4 4 0 4
72.79 2.04 1.2992 0 0 12 2
72.95 2.07 1.2968 3 3 8 8
73.72 1.41 1.2851 4 4 2 8
75.22 6.74 1.2632 5 1 6 16
76.32 1.10 1.2478 5 3 2 16
76.59 1.72 1.2440 4 1 9 16
77.75 1.47 1.2283 5 3 3 16
78.88 1.75 1.2135 6 0 2 8
78.96 3.23 1.2125 5 1 7 16
79.75 2.50 1.2024 5 3 4 16
80.16 1.97 1.1974 6 1 2 16
81.95 1.74 1.1757 5 0 8 8
82.01 1.22 1.1750 4 1 10 16
82.83 1.82 1.1654 6 2 0 8
83.06 5.80 1.1627 2 2 12 8
83.21 2.73 1.1610 5 1 8 16
83.96 3.24 1.1526 6 2 2 16
84.37 1.10 1.1480 5 4 1 16
85.41 6.99 1.1367 5 3 6 16
85.79 7.40 1.1326 4 2 10 16
87.33 1.47 1.1166 6 2 4 16
89.35 1.14 1.0965 3 2 12 16
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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.