Tugtupite
Antao S M, Hassan I, Parise J B
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 419 C
_database_code_amcsd 0003456
CELL PARAMETERS: 8.6567 8.6567 8.8778 90.000 90.000 90.000
SPACE GROUP: I-4
X-RAY WAVELENGTH: 1.541838
Cell Volume: 665.287
Density (g/cm3): 2.335
MAX. ABS. INTENSITY / VOLUME**2: 16.51345992
RIR: 2.303
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
14.29 37.09 6.1979 1 0 1 4
14.47 6.20 6.1212 1 1 0 4
20.00 6.21 4.4389 0 0 2 2
20.52 1.68 4.3283 2 0 0 4
24.78 31.63 3.5935 1 1 2 4
25.09 46.53 3.5487 2 1 1 4
25.09 53.47 3.5487 1 2 1 4
29.18 1.72 3.0606 2 2 0 4
31.96 4.36 2.8002 1 0 3 4
32.63 4.81 2.7442 3 0 1 4
32.71 2.94 2.7375 3 1 0 4
35.63 17.53 2.5197 2 2 2 4
38.28 5.92 2.3511 2 1 3 4
38.28 2.70 2.3511 1 2 3 4
38.64 2.06 2.3300 3 1 2 4
38.64 2.67 2.3300 1 3 2 4
38.86 2.50 2.3177 3 2 1 4
38.86 5.39 2.3177 2 3 1 4
41.74 1.08 2.1642 4 0 0 4
43.37 8.20 2.0865 1 1 4 4
43.82 11.61 2.0660 3 0 3 4
44.33 5.48 2.0432 4 1 1 4
44.33 6.17 2.0432 1 4 1 4
44.40 7.45 2.0404 3 3 0 4
46.69 3.29 1.9453 4 0 2 4
48.85 3.36 1.8645 3 2 3 4
50.82 1.54 1.7967 2 2 4 4
51.51 2.20 1.7743 4 2 2 4
53.51 1.70 1.7124 1 4 3 4
53.96 4.15 1.6993 4 3 1 4
57.07 1.26 1.6139 1 2 5 4
58.34 1.16 1.5818 5 2 1 4
59.67 5.84 1.5495 4 0 4 4
60.50 2.38 1.5303 4 4 0 4
61.30 1.27 1.5122 3 0 5 4
62.11 1.07 1.4944 3 4 3 4
62.11 1.01 1.4944 5 0 3 4
62.80 1.39 1.4796 0 0 6 2
63.80 1.71 1.4588 4 2 4 4
63.80 1.88 1.4588 2 4 4 4
64.40 3.19 1.4467 4 4 2 4
64.60 1.44 1.4428 6 0 0 4
65.37 1.56 1.4276 3 2 5 4
65.37 1.44 1.4276 2 3 5 4
66.15 2.04 1.4126 2 5 3 4
66.40 2.08 1.4080 5 3 2 4
70.72 1.33 1.3321 2 2 6 4
72.23 1.47 1.3080 6 2 2 4
75.46 2.57 1.2599 4 4 4 4
79.53 1.24 1.2052 2 1 7 4
80.62 1.04 1.1917 2 5 5 4
81.34 1.10 1.1829 3 6 3 4
81.57 1.32 1.1802 1 7 2 4
81.71 1.07 1.1786 7 2 1 4
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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.