Topaz Chen J, Lager G A, Kunz M, Hansen T C, Ulmer P Acta Crystallographica E61 (2005) i253-i255 A Rietveld refinement using neutron powder diffraction data of a fully deuterated topaz, Al2SiO4(OD)2 Locality: synthetic _database_code_amcsd 0010464 CELL PARAMETERS: 4.7282 8.9320 8.4309 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 356.056 Density (g/cm3): 3.359 MAX. ABS. INTENSITY / VOLUME**2: 7.507740303 RIR: 0.728 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.88 5.38 4.4660 0 2 0 2 21.26 6.91 4.1788 1 1 0 4 22.53 3.33 3.9465 0 2 1 4 23.76 58.24 3.7441 1 1 1 8 27.47 72.14 3.2467 1 2 0 4 29.13 27.63 3.0655 0 2 2 4 29.48 15.48 3.0298 1 2 1 8 30.11 100.00 2.9677 1 1 2 8 35.64 23.68 2.5194 1 3 0 4 37.22 5.58 2.4158 1 0 3 4 37.25 19.74 2.4140 1 3 1 8 37.82 52.70 2.3786 0 2 3 4 38.06 1.38 2.3641 2 0 0 2 38.61 6.47 2.3320 1 1 3 8 39.43 1.89 2.2854 2 1 0 4 40.39 8.57 2.2330 0 4 0 2 40.91 12.25 2.2058 2 1 1 8 41.85 5.54 2.1586 0 4 1 4 42.55 53.84 2.1248 1 2 3 8 43.30 29.94 2.0894 2 2 0 4 44.89 4.73 2.0191 1 4 0 4 45.13 7.87 2.0091 2 1 2 8 45.99 5.22 1.9732 0 4 2 4 46.23 4.28 1.9636 1 4 1 8 48.37 20.73 1.8819 1 1 4 8 48.53 22.26 1.8759 1 3 3 8 49.21 8.96 1.8514 2 3 0 4 50.09 6.60 1.8210 1 4 2 8 50.47 5.02 1.8083 2 3 1 8 54.10 22.64 1.6951 2 3 2 8 54.74 9.63 1.6768 2 2 3 8 56.09 15.02 1.6398 1 4 3 8 56.71 3.58 1.6233 2 4 0 4 57.84 1.48 1.5941 2 4 1 8 58.08 1.21 1.5882 1 0 5 4 58.51 1.01 1.5775 0 2 5 4 59.08 3.28 1.5637 1 1 5 8 59.50 1.11 1.5535 1 5 2 8 59.68 6.20 1.5494 2 1 4 8 59.82 18.86 1.5461 2 3 3 8 60.39 1.77 1.5328 0 4 4 4 61.18 1.21 1.5149 2 4 2 8 62.49 11.61 1.4862 3 2 0 4 63.45 4.56 1.4660 0 6 1 4 63.57 1.82 1.4637 3 2 1 8 63.84 2.35 1.4581 1 4 4 8 63.92 3.18 1.4565 3 1 2 8 64.92 38.56 1.4363 1 5 3 8 65.49 23.10 1.4253 2 5 0 4 66.52 1.06 1.4057 2 4 3 8 66.54 3.61 1.4053 2 5 1 8 66.55 23.98 1.4051 0 0 6 2 66.62 1.26 1.4037 0 6 2 4 66.75 7.78 1.4013 1 3 5 8 67.31 4.66 1.3910 2 3 4 8 68.22 39.76 1.3746 3 0 3 4 69.25 5.66 1.3568 2 1 5 8 69.90 5.07 1.3457 1 6 2 8 69.91 1.34 1.3456 0 4 5 4 71.75 3.15 1.3155 0 6 3 4 73.43 6.72 1.2896 1 2 6 8 73.66 1.73 1.2861 2 4 4 8 74.55 1.77 1.2729 3 4 1 8 74.67 1.75 1.2711 2 5 3 8 74.93 6.53 1.2674 1 6 3 8 75.47 2.95 1.2597 2 6 0 4 76.17 2.32 1.2498 3 1 4 8 76.40 1.25 1.2466 2 3 5 8 76.45 1.69 1.2459 2 6 1 8 77.48 5.99 1.2319 1 7 0 4 77.51 2.20 1.2315 3 4 2 8 77.83 4.66 1.2272 1 3 6 8 78.69 2.42 1.2160 0 6 4 4 81.41 1.65 1.1820 4 0 0 2 81.53 1.19 1.1807 2 5 4 8 81.78 2.01 1.1776 1 6 4 8 82.78 3.31 1.1660 2 2 6 8 83.24 5.74 1.1607 4 1 1 8 83.54 2.34 1.1573 1 1 7 8 83.89 1.05 1.1534 1 4 6 8 87.06 1.27 1.1193 2 3 6 8 87.34 2.85 1.1165 0 8 0 2 87.39 2.44 1.1160 0 6 5 4 87.49 2.81 1.1149 3 2 5 8 88.69 1.67 1.1029 4 2 2 8 89.11 1.55 1.0988 3 4 4 8 89.13 1.14 1.0986 4 3 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.