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-3
_database_code_amcsd 0005513
CELL PARAMETERS: 12.0546 12.0546 7.5684 90.000 90.000 90.000
SPACE GROUP: I4/m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1099.790
Density (g/cm3): 2.568
MAX. ABS. INTENSITY / VOLUME**2: 10.37525975
RIR: 1.316
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.38 11.39 8.5239 1 1 0 4
13.82 13.92 6.4098 1 0 1 8
14.70 4.71 6.0273 2 0 0 4
20.22 2.82 4.3909 1 2 1 8
20.84 8.08 4.2619 2 2 0 4
23.34 5.55 3.8120 1 3 0 4
23.34 46.15 3.8120 3 1 0 4
25.09 22.72 3.5490 3 0 1 8
25.76 100.00 3.4587 1 1 2 8
29.20 65.15 3.0582 2 3 1 8
29.64 35.19 3.0136 4 0 0 4
31.49 5.07 2.8413 3 3 0 4
31.62 2.64 2.8297 2 2 2 8
32.84 17.05 2.7273 1 4 1 8
33.24 8.53 2.6955 2 4 0 4
33.36 33.66 2.6856 3 1 2 8
33.36 2.43 2.6856 1 3 2 8
38.06 1.77 2.3641 1 5 0 4
39.22 4.54 2.2972 4 3 1 8
39.22 5.08 2.2972 3 4 1 8
39.67 1.21 2.2721 3 3 2 8
41.11 3.37 2.1955 4 2 2 8
42.09 3.21 2.1466 5 2 1 8
42.30 8.26 2.1366 3 0 3 8
43.79 1.98 2.0673 3 5 0 4
45.02 4.54 2.0138 3 2 3 8
45.02 1.16 2.0138 2 3 3 8
45.23 1.01 2.0050 1 5 2 8
47.42 8.36 1.9171 6 1 1 8
47.61 2.81 1.9100 4 1 3 8
47.61 13.25 1.9100 1 4 3 8
47.72 10.18 1.9060 6 2 0 4
47.72 2.66 1.9060 2 6 0 4
48.09 11.67 1.8921 0 0 4 2
49.92 1.36 1.8269 4 5 1 8
50.29 2.38 1.8143 5 3 2 8
50.29 5.21 1.8143 3 5 2 8
52.33 3.17 1.7484 3 6 1 8
52.50 1.91 1.7430 5 0 3 8
53.77 2.25 1.7048 1 7 0 4
53.77 4.00 1.7048 7 1 0 4
54.83 2.11 1.6744 2 5 3 8
54.92 1.35 1.6717 4 6 0 4
56.93 3.44 1.6176 2 7 1 8
57.51 3.60 1.6024 4 0 4 8
58.29 1.04 1.5828 7 3 0 4
59.30 1.42 1.5584 6 1 3 8
59.30 4.28 1.5584 1 6 3 8
59.47 1.67 1.5543 7 1 2 8
61.45 4.05 1.5088 5 4 3 8
63.41 1.20 1.4668 4 7 1 8
63.57 1.19 1.4636 6 3 3 8
63.73 2.83 1.4603 7 3 2 8
63.73 3.93 1.4603 3 7 2 8
63.88 2.26 1.4573 1 2 5 8
65.64 3.05 1.4223 7 0 3 8
65.73 4.41 1.4206 6 6 0 4
65.95 4.36 1.4165 3 0 5 8
66.75 1.64 1.4013 7 5 0 4
67.68 2.77 1.3843 2 7 3 8
67.98 6.88 1.3789 2 3 5 8
68.85 6.58 1.3636 8 2 2 8
68.85 5.41 1.3636 2 8 2 8
69.78 1.01 1.3477 8 4 0 4
69.78 1.60 1.3477 4 8 0 4
70.07 3.51 1.3428 6 2 4 8
70.78 2.58 1.3312 1 9 0 4
71.54 1.14 1.3189 9 0 1 8
71.68 3.31 1.3166 5 6 3 8
73.50 1.06 1.2884 7 6 1 8
73.93 2.23 1.2820 4 3 5 8
74.99 1.03 1.2665 1 7 4 8
75.35 1.48 1.2614 0 0 6 2
75.74 1.42 1.2558 1 9 2 8
79.71 2.82 1.2029 6 1 5 8
82.36 1.64 1.1708 5 9 0 4
83.37 1.42 1.1592 7 7 2 8
83.50 1.10 1.1577 6 3 5 8
83.50 1.27 1.1577 3 6 5 8
84.32 1.96 1.1486 8 6 2 8
85.39 1.22 1.1369 7 0 5 8
85.47 1.46 1.1361 6 6 4 8
87.14 1.39 1.1185 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.