Panunzite
Merlino S, Franco E, Mattia C A, Pasero M, De Gennaro M
Neues Jahrbuch fur Mineralogie, Monatshefte 1985 (1985) 322-328
The crystal structure of panunzite (natural tetrakalsilite)
Locality: Somma-Vesuvius area, Italy
Note: x(O7) and y(O11) adjusted to match reported bond lengths
_database_code_amcsd 0014796
CELL PARAMETERS: 20.4960 20.4960 8.5490 90.000 90.000 120.000
SPACE GROUP: P6_3
X-RAY WAVELENGTH: 1.541838
Cell Volume: 3110.170
Density (g/cm3): 2.624
MAX. ABS. INTENSITY / VOLUME**2: 12.53263407
RIR: 1.555
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.01 3.57 4.4375 4 0 0 6
20.78 19.58 4.2745 0 0 2 1
20.82 1.75 4.2662 1 3 1 6
22.58 55.56 3.9385 4 0 1 6
22.96 2.55 3.8734 1 4 0 6
22.96 2.54 3.8734 4 1 0 6
25.24 6.70 3.5281 1 4 1 6
25.24 4.18 3.5281 4 1 1 6
26.09 1.13 3.4160 3 3 0 6
27.64 3.68 3.2276 1 3 2 6
27.99 1.58 3.1880 1 5 0 6
28.59 1.41 3.1227 2 4 1 6
29.00 100.00 3.0785 4 0 2 6
30.31 1.18 2.9484 2 3 2 6
30.64 23.21 2.9181 4 3 0 6
31.16 5.00 2.8703 1 4 2 6
31.16 2.30 2.8703 4 1 2 6
31.48 5.35 2.8423 5 2 0 6
32.42 1.88 2.7616 3 4 1 6
33.97 1.79 2.6389 4 2 2 6
35.02 28.46 2.5620 4 4 0 6
35.40 4.05 2.5357 3 5 0 6
35.40 1.56 2.5357 7 0 0 6
36.06 2.22 2.4904 2 2 3 6
36.43 1.47 2.4663 3 1 3 6
36.98 1.68 2.4310 3 5 1 6
36.98 4.19 2.4310 7 0 1 6
36.98 4.91 2.4310 5 3 1 6
37.31 1.91 2.4100 4 3 2 6
37.51 19.42 2.3978 4 0 3 6
38.56 1.14 2.3348 2 3 3 6
39.25 1.24 2.2954 1 4 3 6
39.66 1.13 2.2727 4 5 0 6
39.66 8.19 2.2727 5 4 0 6
39.76 4.84 2.2669 1 7 1 6
39.76 1.19 2.2669 7 1 1 6
40.33 1.22 2.2363 6 3 0 6
40.66 4.75 2.2188 8 0 0 6
41.07 3.85 2.1975 4 4 2 6
41.40 9.55 2.1809 5 3 2 6
42.07 2.30 2.1476 8 0 1 6
42.29 13.95 2.1372 0 0 4 1
43.03 1.36 2.1019 2 7 1 6
43.95 1.18 2.0600 1 7 2 6
44.19 1.46 2.0496 5 5 0 6
46.09 3.40 1.9693 8 0 2 6
47.20 3.14 1.9256 4 0 4 6
52.25 3.34 1.7507 8 0 3 6
53.07 1.42 1.7257 2 7 3 6
53.12 1.97 1.7242 4 3 4 6
53.48 1.51 1.7135 9 2 1 6
53.73 1.08 1.7061 5 6 2 6
53.93 1.06 1.7001 5 7 0 6
54.67 1.96 1.6787 1 8 3 6
55.32 2.13 1.6607 8 3 2 6
56.03 2.06 1.6412 4 4 4 6
56.88 1.83 1.6187 9 2 2 6
57.08 1.42 1.6136 11 0 0 6
57.16 1.32 1.6116 9 3 1 6
57.79 11.57 1.5955 4 0 5 6
59.18 3.30 1.5613 4 8 2 6
59.18 1.64 1.5613 8 4 2 6
59.82 2.73 1.5461 4 7 3 6
59.82 1.08 1.5461 7 4 3 6
60.11 2.97 1.5393 8 0 4 6
60.12 3.66 1.5391 1 11 0 6
60.81 1.03 1.5232 8 3 3 6
62.82 2.17 1.4792 12 0 0 6
62.88 1.55 1.4779 6 7 2 6
63.55 5.29 1.4640 2 11 0 6
63.74 5.26 1.4600 5 7 3 6
63.74 1.01 1.4600 7 5 3 6
65.51 2.03 1.4248 0 0 6 1
65.89 1.33 1.4176 7 0 5 6
65.94 1.64 1.4166 1 12 0 6
67.77 1.81 1.3828 1 7 5 6
69.21 2.53 1.3574 9 6 0 6
69.39 2.19 1.3543 8 0 5 6
70.08 1.19 1.3427 2 7 5 6
74.22 1.86 1.2777 9 7 0 6
76.50 4.66 1.2452 4 4 6 6
76.72 1.02 1.2422 3 5 6 6
76.72 2.23 1.2422 5 3 6 6
78.18 1.55 1.2226 9 2 5 6
79.33 1.09 1.2078 2 11 4 6
79.39 2.26 1.2071 13 2 2 6
79.83 3.10 1.2015 5 11 2 6
83.32 1.30 1.1598 13 3 2 6
83.87 1.08 1.1535 5 8 5 6
84.10 1.17 1.1511 13 2 3 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.