Br3 H18 Nd O18 Helmholz L Journal of the American Chemical Society 61 (1939) 1544-1550 The Crystal Structure of Neodymium Enneahydrate, Nd (Br O3)3 (H2 O)9 _cod_database_code 1010204 _database_code_amcsd 0017140 CELL PARAMETERS: 11.7300 11.7300 6.7600 90.000 90.000 120.000 SPACE GROUP: P6_3mc X-RAY WAVELENGTH: 1.541838 Cell Volume: 805.514 Density (g/cm3): 2.770 MAX. ABS. INTENSITY / VOLUME**2: 54.89050968 RIR: 6.452 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.70 1.05 10.1585 1 0 0 6 15.11 6.15 5.8650 1 1 0 6 15.75 19.04 5.6278 1 0 1 6 17.46 24.33 5.0792 2 0 0 6 21.89 100.00 4.0607 2 0 1 6 23.17 16.03 3.8395 2 1 0 12 26.37 15.89 3.3800 0 0 2 1 26.70 1.60 3.3386 2 1 1 12 27.82 1.47 3.2071 1 0 2 6 29.50 25.06 3.0276 3 0 1 6 30.48 8.04 2.9325 2 2 0 6 31.80 16.80 2.8139 2 0 2 6 34.49 11.16 2.6006 3 1 1 12 35.34 7.09 2.5396 4 0 0 6 35.38 2.79 2.5370 2 1 2 12 37.60 4.62 2.3922 3 0 2 6 37.84 1.83 2.3774 4 0 1 6 38.63 2.28 2.3305 3 2 0 12 40.70 1.63 2.2168 4 1 0 12 40.73 12.70 2.2150 2 2 2 6 40.96 13.98 2.2033 3 2 1 12 41.03 1.25 2.1999 1 0 3 6 41.74 5.61 2.1642 3 1 2 12 42.94 3.10 2.1064 4 1 1 12 43.96 11.08 2.0597 2 0 3 6 44.60 1.68 2.0317 5 0 0 6 44.63 1.31 2.0304 4 0 2 6 46.45 12.46 1.9550 3 3 0 6 47.38 3.28 1.9186 3 2 2 12 48.53 4.05 1.8759 3 0 3 6 49.15 3.84 1.8537 4 1 2 12 49.35 4.70 1.8467 4 2 1 12 49.99 1.90 1.8245 5 1 0 12 51.91 7.15 1.7615 5 1 1 12 51.96 2.18 1.7597 3 1 3 12 52.56 3.51 1.7413 5 0 2 6 54.20 4.86 1.6923 3 3 2 6 54.28 4.24 1.6900 0 0 4 1 54.44 1.25 1.6855 4 0 3 6 54.98 1.33 1.6700 4 3 0 12 55.99 2.75 1.6424 6 0 1 6 56.83 4.53 1.6199 3 2 3 12 57.39 2.42 1.6055 5 1 2 12 57.47 1.45 1.6036 2 0 4 6 58.35 3.38 1.5815 5 2 1 12 58.40 1.07 1.5803 4 1 3 12 59.79 1.59 1.5468 2 1 4 12 61.40 1.24 1.5100 6 1 1 12 61.98 1.39 1.4973 4 3 2 12 63.54 1.68 1.4642 2 2 4 6 63.68 1.71 1.4613 4 2 3 12 64.18 2.32 1.4512 5 3 0 12 65.82 7.31 1.4189 5 3 1 12 65.87 2.59 1.4180 5 1 3 12 66.45 1.33 1.4070 4 0 4 6 69.91 1.87 1.3455 7 1 0 12 70.64 2.24 1.3335 5 3 2 12 71.54 1.67 1.3189 5 2 3 12 72.32 2.48 1.3065 2 0 5 6 74.17 3.78 1.2785 3 3 4 6 75.76 1.13 1.2556 3 0 5 6 76.15 4.56 1.2501 7 1 2 12 78.38 3.40 1.2201 5 3 3 12 82.35 1.21 1.1710 8 1 1 12 88.89 1.42 1.1010 5 3 4 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.