Marialite
Sokolova E V, Kabalov Y K, Sherriff B L, Teertstra D K
Jenkins D M, Kunath-Fandrei G, Goetz S, Jager C
The Canadian Mineralogist 34 (1996) 1039-1050
Marialite: Rietveld structure-refinement and Si MAS
and Al satellite transition NMR spectroscopy
Sample: PAM-2
_database_code_amcsd 0005512
CELL PARAMETERS: 12.0489 12.0489 7.5665 90.000 90.000 90.000
SPACE GROUP: I4/m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1098.474
Density (g/cm3): 2.579
MAX. ABS. INTENSITY / VOLUME**2: 10.14020534
RIR: 1.280
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.38 8.05 8.5199 1 1 0 4
13.82 13.62 6.4078 1 0 1 8
14.70 4.70 6.0244 2 0 0 4
20.23 4.04 4.3892 1 2 1 8
20.85 9.02 4.2599 2 2 0 4
23.35 6.49 3.8102 1 3 0 4
23.35 44.80 3.8102 3 1 0 4
25.10 19.95 3.5475 3 0 1 8
25.77 100.00 3.4577 1 1 2 8
29.21 63.09 3.0569 2 3 1 8
29.66 36.32 3.0122 4 0 0 4
31.50 5.22 2.8400 3 3 0 4
31.63 2.87 2.8287 2 2 2 8
32.85 16.66 2.7260 1 4 1 8
33.25 8.40 2.6942 2 4 0 4
33.38 34.06 2.6846 3 1 2 8
33.38 2.86 2.6846 1 3 2 8
38.08 1.31 2.3630 1 5 0 4
39.24 4.55 2.2961 4 3 1 8
39.24 5.50 2.2961 3 4 1 8
39.68 1.03 2.2712 3 3 2 8
41.13 2.57 2.1946 4 2 2 8
42.12 2.46 2.1456 5 2 1 8
42.31 8.43 2.1359 3 0 3 8
43.81 2.12 2.0664 3 5 0 4
45.03 4.36 2.0131 3 2 3 8
47.44 7.60 1.9163 6 1 1 8
47.63 2.35 1.9094 4 1 3 8
47.63 11.01 1.9094 1 4 3 8
47.74 10.08 1.9051 6 2 0 4
47.74 2.12 1.9051 2 6 0 4
48.10 10.70 1.8916 0 0 4 2
49.94 1.24 1.8261 4 5 1 8
50.31 2.24 1.8135 5 3 2 8
50.31 4.46 1.8135 3 5 2 8
52.35 2.93 1.7476 3 6 1 8
52.52 1.94 1.7423 5 0 3 8
53.80 2.31 1.7040 1 7 0 4
53.80 3.47 1.7040 7 1 0 4
53.88 1.03 1.7015 2 6 2 8
54.85 2.31 1.6738 2 5 3 8
56.95 3.19 1.6168 2 7 1 8
57.53 3.44 1.6019 4 0 4 8
59.32 1.37 1.5578 6 1 3 8
59.32 3.54 1.5578 1 6 3 8
59.50 2.05 1.5537 7 1 2 8
61.48 4.28 1.5082 5 4 3 8
63.45 1.11 1.4662 4 7 1 8
63.76 2.44 1.4596 7 3 2 8
63.76 2.51 1.4596 3 7 2 8
63.89 2.44 1.4569 1 2 5 8
65.67 2.27 1.4217 7 0 3 8
65.76 3.72 1.4200 6 6 0 4
65.97 3.45 1.4161 3 0 5 8
66.79 1.44 1.4007 7 5 0 4
67.72 2.32 1.3837 2 7 3 8
68.00 5.70 1.3785 2 3 5 8
68.89 5.72 1.3630 8 2 2 8
68.89 4.75 1.3630 2 8 2 8
69.82 1.36 1.3471 4 8 0 4
70.10 3.20 1.3423 6 2 4 8
70.81 2.33 1.3306 1 9 0 4
71.72 2.55 1.3160 5 6 3 8
73.96 2.09 1.2816 4 3 5 8
75.37 1.11 1.2611 0 0 6 2
75.78 1.17 1.2552 1 9 2 8
79.75 2.19 1.2025 6 1 5 8
82.41 1.40 1.1703 5 9 0 4
83.42 1.07 1.1586 7 7 2 8
83.54 1.06 1.1573 3 6 5 8
84.36 1.44 1.1481 8 6 2 8
85.51 1.13 1.1356 6 6 4 8
87.19 1.05 1.1180 5 9 2 8
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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.