Dumortierite
Evans R J, Fyfe C A, Groat L A, Lam A E
American Mineralogist 97 (2012) 329-340
MAS NMR measurements and ab initio calculations of the 29Si chemical
shifts in dumortierite and holtite
Locality: Madagascar
_database_code_amcsd 0020826
CELL PARAMETERS: 4.6882 11.7924 20.1856 90.000 90.000 90.000
SPACE GROUP: Pnma
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1115.964
Density (g/cm3): 3.345
MAX. ABS. INTENSITY / VOLUME**2: 4.042710806
RIR: 0.394
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
8.68 3.43 10.1822 0 1 1 4
15.03 61.93 5.8962 0 2 0 2
15.16 100.00 5.8441 0 1 3 4
17.42 38.66 5.0911 0 2 2 4
17.57 25.78 5.0464 0 0 4 2
19.44 1.80 4.5666 1 0 1 4
20.86 26.89 4.2585 1 1 1 8
20.89 13.84 4.2519 1 0 2 4
22.23 11.27 3.9998 1 1 2 8
23.05 10.42 3.8583 0 3 1 4
23.12 6.64 3.8466 1 0 3 4
23.20 8.67 3.8339 0 2 4 4
23.29 8.35 3.8195 0 1 5 4
24.66 6.13 3.6104 1 2 1 8
25.83 51.26 3.4487 1 2 2 8
25.94 30.89 3.4347 1 0 4 4
26.26 12.23 3.3941 0 3 3 4
26.49 3.79 3.3643 0 0 6 2
27.04 20.88 3.2977 1 1 4 8
27.69 83.28 3.2216 1 2 3 8
29.19 45.08 3.0592 1 0 5 4
29.99 6.10 2.9792 1 3 1 8
30.11 3.15 2.9679 1 2 4 8
30.18 3.84 2.9612 1 1 5 8
30.32 12.83 2.9481 0 4 0 2
30.59 32.13 2.9221 0 2 6 4
30.98 58.55 2.8863 1 3 2 8
31.77 2.51 2.8163 0 3 5 4
32.57 1.07 2.7492 1 3 3 8
32.99 11.65 2.7154 1 2 5 8
33.66 31.91 2.6627 1 1 6 8
35.26 32.55 2.5455 0 4 4 4
35.58 13.82 2.5232 0 0 8 2
36.27 19.67 2.4768 1 4 1 8
36.58 17.91 2.4562 1 0 7 4
37.11 8.21 2.4227 1 4 2 8
37.24 14.36 2.4142 1 3 5 8
37.40 12.04 2.4046 1 1 7 8
38.40 7.11 2.3441 2 0 0 2
38.43 1.56 2.3425 0 5 1 4
38.47 21.74 2.3399 1 4 3 8
38.67 6.16 2.3285 2 0 1 4
38.82 1.51 2.3197 0 2 8 4
39.75 1.19 2.2673 1 2 7 8
40.32 11.93 2.2371 1 4 4 8
40.60 6.90 2.2218 1 0 8 4
41.35 5.27 2.1834 1 1 8 8
41.45 9.35 2.1783 2 2 0 4
41.51 19.71 2.1756 2 1 3 8
41.71 1.96 2.1657 2 2 1 8
42.45 1.19 2.1292 2 2 2 8
42.59 5.78 2.1228 1 4 5 8
43.17 38.79 2.0955 1 5 1 8
43.44 33.46 2.0830 1 3 7 8
43.53 39.12 2.0791 1 2 8 8
43.90 5.46 2.0624 1 5 2 8
45.03 5.48 2.0133 2 3 0 4
45.09 1.40 2.0106 1 5 3 8
45.26 4.08 2.0034 2 3 1 8
45.35 2.89 1.9999 2 2 4 8
45.40 6.10 1.9979 2 1 5 8
45.97 3.38 1.9744 2 3 2 8
46.72 8.54 1.9442 1 5 4 8
46.98 1.38 1.9342 1 3 8 8
47.12 5.76 1.9288 2 3 3 8
47.42 10.78 1.9170 2 2 5 8
47.51 6.50 1.9137 1 2 9 8
47.92 5.43 1.8982 2 1 6 8
48.69 11.02 1.8700 2 3 4 8
49.79 15.16 1.8315 1 1 10 8
49.87 1.38 1.8285 2 2 6 8
50.15 13.06 1.8189 2 0 7 4
50.56 6.29 1.8053 1 6 1 8
51.16 15.31 1.7856 1 5 6 8
51.20 3.00 1.7840 1 6 2 8
51.50 2.18 1.7744 1 4 8 8
51.64 20.17 1.7702 2 4 3 8
51.68 2.06 1.7686 1 2 10 8
52.27 7.65 1.7502 1 6 3 8
52.66 8.08 1.7381 2 2 7 8
53.01 9.55 1.7276 2 3 6 8
53.11 9.59 1.7244 2 4 4 8
53.35 2.64 1.7174 2 0 8 4
53.73 2.53 1.7059 1 6 4 8
53.89 2.92 1.7012 1 5 7 8
54.24 2.33 1.6912 1 1 11 8
54.97 5.78 1.6704 2 4 5 8
55.14 2.85 1.6656 0 4 10 4
55.25 2.88 1.6626 2 5 0 4
55.45 6.35 1.6570 2 5 1 8
55.68 8.17 1.6508 2 3 7 8
55.75 7.75 1.6488 2 2 8 8
56.03 6.40 1.6413 1 2 11 8
56.06 4.66 1.6405 2 5 2 8
56.30 2.69 1.6342 0 7 3 4
56.63 1.86 1.6253 0 5 9 4
56.81 2.51 1.6205 2 0 9 4
56.93 1.24 1.6176 0 2 12 4
56.94 13.16 1.6172 1 5 8 8
57.06 4.46 1.6140 2 5 3 8
57.19 4.08 1.6108 2 4 6 8
57.40 2.92 1.6055 2 1 9 8
57.78 1.11 1.5957 1 6 6 8
58.45 1.67 1.5791 2 5 4 8
58.97 6.97 1.5662 1 7 2 8
59.45 9.10 1.5547 0 7 5 4
59.63 8.91 1.5505 0 6 8 4
59.94 2.01 1.5431 1 7 3 8
60.10 11.06 1.5395 0 1 13 4
60.27 1.83 1.5356 1 5 9 8
60.31 9.18 1.5346 1 6 7 8
60.55 1.82 1.5291 1 2 12 8
61.09 1.40 1.5169 2 1 10 8
61.29 1.41 1.5125 1 7 4 8
61.77 5.81 1.5019 2 6 1 8
61.94 3.25 1.4982 2 3 9 8
62.29 1.85 1.4905 2 5 6 8
62.34 2.58 1.4896 2 6 2 8
62.60 4.45 1.4839 2 4 8 8
62.76 3.00 1.4806 2 2 10 8
63.07 11.54 1.4741 0 8 0 2
63.07 7.11 1.4740 1 0 13 4
63.27 3.33 1.4697 2 6 3 8
63.33 6.33 1.4686 1 3 12 8
63.69 19.76 1.4610 0 4 12 4
63.86 10.92 1.4576 1 5 10 8
64.31 8.65 1.4484 3 3 1 8
64.38 10.18 1.4471 3 2 4 8
64.42 9.93 1.4464 3 1 5 8
64.53 1.39 1.4441 0 3 13 4
65.03 4.07 1.4341 1 7 6 8
65.25 1.31 1.4300 1 2 13 8
65.48 8.20 1.4255 2 3 10 8
65.76 9.36 1.4201 2 4 9 8
66.03 1.06 1.4149 0 8 4 4
66.23 1.36 1.4111 2 6 5 8
66.64 6.54 1.4034 2 2 11 8
66.67 1.48 1.4028 1 8 1 8
67.41 3.59 1.3893 1 7 7 8
67.46 3.26 1.3883 2 5 8 8
68.03 2.48 1.3781 1 0 14 4
68.12 1.69 1.3764 1 8 3 8
68.26 3.76 1.3739 3 0 7 4
68.60 2.55 1.3680 3 4 2 8
68.69 3.21 1.3665 3 3 5 8
69.19 2.06 1.3577 2 4 10 8
69.32 5.53 1.3556 2 7 2 8
69.50 4.80 1.3526 3 4 3 8
69.64 1.46 1.3501 0 8 6 4
69.83 2.01 1.3470 0 7 9 4
70.10 1.22 1.3424 1 7 8 8
70.13 1.42 1.3420 1 2 14 8
70.65 1.15 1.3333 3 3 6 8
70.74 27.56 1.3318 3 4 4 8
70.94 12.82 1.3286 3 0 8 4
70.98 2.76 1.3279 1 8 5 8
72.33 1.34 1.3064 3 4 5 8
72.71 1.94 1.3005 1 3 14 8
72.91 12.18 1.2975 2 4 11 8
72.94 1.57 1.2970 3 3 7 8
72.94 1.24 1.2969 0 5 13 4
73.00 2.17 1.2961 3 2 8 8
73.03 2.10 1.2956 2 7 5 8
73.05 1.00 1.2952 0 4 14 4
73.09 1.22 1.2946 1 7 9 8
73.17 7.19 1.2935 1 0 15 4
73.19 1.61 1.2932 2 6 8 8
73.43 2.84 1.2896 1 6 11 8
73.61 2.22 1.2868 2 1 13 8
73.68 1.02 1.2858 1 1 15 8
74.25 1.58 1.2773 3 4 6 8
74.43 1.31 1.2747 3 1 9 8
74.56 2.54 1.2728 0 8 8 4
74.94 1.99 1.2672 2 7 6 8
75.17 9.00 1.2639 1 8 7 8
75.20 8.18 1.2634 1 2 15 8
75.33 1.67 1.2616 0 0 16 2
76.00 2.53 1.2522 1 9 2 8
76.31 1.27 1.2478 2 8 0 4
76.39 8.35 1.2468 1 7 10 8
76.48 6.98 1.2455 2 8 1 8
76.89 1.75 1.2399 2 4 12 8
76.90 2.12 1.2398 3 5 5 8
77.47 1.29 1.2321 2 5 11 8
77.66 1.98 1.2295 2 3 13 8
78.06 5.05 1.2242 1 9 4 8
81.15 1.54 1.1853 2 4 13 8
81.46 3.03 1.1815 1 9 6 8
81.65 3.44 1.1792 0 10 0 2
82.26 1.11 1.1720 4 0 0 2
82.32 2.57 1.1713 0 10 2 4
82.43 1.26 1.1701 4 0 1 4
82.53 5.34 1.1688 0 5 15 4
82.92 1.63 1.1644 4 1 1 8
82.93 1.19 1.1642 4 0 2 4
83.08 2.52 1.1625 0 6 14 4
83.31 1.72 1.1599 0 4 16 4
83.42 2.19 1.1586 4 1 2 8
83.65 1.39 1.1561 1 9 7 8
83.85 1.12 1.1538 1 8 10 8
84.66 2.71 1.1449 2 2 15 8
84.90 1.16 1.1422 4 2 2 8
84.95 1.13 1.1417 4 0 4 4
85.81 2.89 1.1324 2 7 10 8
86.37 2.01 1.1265 3 5 9 8
86.95 1.51 1.1205 4 1 5 8
87.44 1.19 1.1154 2 9 4 8
88.38 1.27 1.1060 2 1 16 8
88.96 1.05 1.1003 1 10 5 8
89.01 1.20 1.0998 1 9 9 8
89.36 1.16 1.0964 4 3 4 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.