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 = 65 C
_database_code_amcsd 0003452
CELL PARAMETERS: 8.6259 8.6259 8.8562 90.000 90.000 90.000
SPACE GROUP: I-4
X-RAY WAVELENGTH: 1.541838
Cell Volume: 658.957
Density (g/cm3): 2.357
MAX. ABS. INTENSITY / VOLUME**2: 17.13798498
RIR: 2.368
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
14.33 34.80 6.1793 1 0 1 4
14.52 5.63 6.0994 1 1 0 4
20.05 6.03 4.4281 0 0 2 2
20.59 1.73 4.3130 2 0 0 4
24.85 31.25 3.5834 1 1 2 4
25.18 46.52 3.5367 2 1 1 4
25.18 53.48 3.5367 1 2 1 4
29.28 1.61 3.0497 2 2 0 4
32.05 4.24 2.7930 1 0 3 4
32.75 4.47 2.7348 3 0 1 4
32.83 2.99 2.7278 3 1 0 4
35.75 17.37 2.5117 2 2 2 4
38.40 6.47 2.3444 2 1 3 4
38.40 2.94 2.3444 1 2 3 4
38.77 2.37 2.3225 3 1 2 4
38.77 3.21 2.3225 1 3 2 4
39.00 2.69 2.3096 3 2 1 4
39.00 5.88 2.3096 2 3 1 4
43.48 8.78 2.0812 1 1 4 4
43.96 12.03 2.0598 3 0 3 4
44.50 5.46 2.0361 4 1 1 4
44.50 6.70 2.0361 1 4 1 4
44.57 7.65 2.0331 3 3 0 4
46.86 3.88 1.9388 4 0 2 4
49.01 3.80 1.8587 3 2 3 4
50.97 1.72 1.7917 2 2 4 4
51.69 2.51 1.7683 4 2 2 4
53.70 1.70 1.7069 1 4 3 4
54.16 4.46 1.6934 4 3 1 4
57.23 1.27 1.6097 1 2 5 4
58.40 1.01 1.5803 1 5 2 4
58.56 1.22 1.5762 5 2 1 4
59.87 6.73 1.5448 4 0 4 4
60.74 2.69 1.5249 4 4 0 4
61.49 1.44 1.5081 3 0 5 4
62.34 1.08 1.4895 3 4 3 4
62.34 1.12 1.4895 5 0 3 4
62.97 1.53 1.4760 0 0 6 2
64.02 2.03 1.4543 4 2 4 4
64.02 2.05 1.4543 2 4 4 4
64.65 3.45 1.4418 4 4 2 4
64.86 1.60 1.4377 6 0 0 4
65.58 1.81 1.4236 3 2 5 4
65.58 1.74 1.4236 2 3 5 4
66.40 2.41 1.4079 2 5 3 4
66.66 2.52 1.4031 5 3 2 4
69.54 1.09 1.3518 1 4 5 4
70.94 1.29 1.3286 2 2 6 4
72.52 1.47 1.3034 6 2 2 4
72.86 1.16 1.2982 1 3 6 4
74.58 1.04 1.2725 3 6 1 4
75.74 2.72 1.2558 4 4 4 4
79.77 1.47 1.2022 2 1 7 4
80.92 1.16 1.1880 2 5 5 4
81.68 1.30 1.1789 3 6 3 4
81.92 1.60 1.1761 1 7 2 4
82.06 1.34 1.1744 7 2 1 4
88.28 1.37 1.1070 6 1 5 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.