Danalite Antao S M, Hassan I, Parise J B The Canadian Mineralogist 41 (2003) 1413-1422 The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: SC20, single crystal data at T = 20 degrees C _database_code_amcsd 0005895 CELL PARAMETERS: 8.2317 8.2317 8.2317 90.000 90.000 90.000 SPACE GROUP: P-43n X-RAY WAVELENGTH: 1.541838 Cell Volume: 557.787 Density (g/cm3): 3.326 MAX. ABS. INTENSITY / VOLUME**2: 49.40654718 RIR: 4.837 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 21.59 2.75 4.1158 2 0 0 6 24.18 7.85 3.6813 2 1 0 24 26.52 100.00 3.3606 2 1 1 12 30.72 2.93 2.9103 2 2 0 12 34.45 14.57 2.6031 3 1 0 24 37.86 4.11 2.3763 2 2 2 4 39.47 1.98 2.2831 3 2 0 24 41.03 19.35 2.2000 3 2 1 24 44.00 2.50 2.0579 4 0 0 6 46.82 24.45 1.9402 4 1 1 12 46.82 20.27 1.9402 3 3 0 12 49.52 5.86 1.8407 4 2 0 24 50.83 1.83 1.7963 4 2 1 24 52.11 1.25 1.7550 3 3 2 12 54.62 8.77 1.6803 4 2 2 12 57.05 2.71 1.6144 5 1 0 24 60.57 1.07 1.5286 4 3 2 24 61.72 6.18 1.5029 5 2 1 24 63.98 8.18 1.4552 4 4 0 12 66.20 2.84 1.4117 4 3 3 12 66.20 4.81 1.4117 5 3 0 24 68.38 5.57 1.3720 4 4 2 12 68.38 3.51 1.3720 6 0 0 6 70.52 6.43 1.3354 5 3 2 24 72.64 1.54 1.3015 6 2 0 24 74.74 8.64 1.2702 5 4 1 24 76.81 1.06 1.2410 6 2 2 12 80.91 1.05 1.1881 4 4 4 4 82.94 1.16 1.1641 5 4 3 24 86.98 3.17 1.1202 7 2 1 24 86.98 4.90 1.1202 6 3 3 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.