Niahite Carling S G, Day P, Visser D Inorganic Chemistry 34 (1995) 3917-3927 Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 295 K Note: atomic positions from ICSD _database_code_amcsd 0012716 CELL PARAMETERS: 5.7302 8.8191 4.9087 90.000 90.000 90.000 SPACE GROUP: Pmn2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 248.062 Density (g/cm3): 2.489 MAX. ABS. INTENSITY / VOLUME**2: 30.15315279 RIR: 3.944 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.03 100.00 8.8191 0 1 0 2 18.46 11.28 4.8050 1 1 0 4 20.14 1.33 4.4096 0 2 0 2 20.71 18.18 4.2891 0 1 1 2 23.87 3.35 3.7279 1 0 1 2 25.95 12.17 3.4337 1 1 1 4 27.18 1.76 3.2803 0 2 1 2 30.41 1.36 2.9397 0 3 0 2 31.22 18.07 2.8651 2 0 0 2 31.42 47.00 2.8469 1 2 1 4 32.87 1.62 2.7249 2 1 0 4 35.60 4.64 2.5220 0 3 1 2 36.61 5.51 2.4543 0 0 2 1 37.76 5.07 2.3824 2 1 1 4 38.06 1.14 2.3645 0 1 2 2 39.02 10.07 2.3083 1 3 1 4 41.86 5.60 2.1579 2 2 1 4 42.14 3.20 2.1445 0 2 2 2 44.01 2.29 2.0577 1 4 0 4 47.94 3.55 1.8977 1 4 1 4 48.31 3.78 1.8840 0 3 2 2 48.86 4.29 1.8639 2 0 2 2 50.01 5.03 1.8237 2 1 2 4 51.03 2.00 1.7898 1 3 2 4 51.83 1.31 1.7638 0 5 0 2 52.36 2.68 1.7473 2 4 0 4 52.44 2.00 1.7449 3 1 1 4 53.36 2.55 1.7169 2 2 2 4 54.43 2.32 1.6858 1 5 0 4 55.69 5.62 1.6506 3 2 1 4 56.07 2.04 1.6402 0 4 2 2 58.54 1.12 1.5768 1 4 2 4 58.68 1.81 1.5733 1 0 3 2 59.70 1.88 1.5489 1 1 3 4 60.84 1.92 1.5227 3 3 1 4 61.76 2.78 1.5020 2 5 0 4 62.70 1.27 1.4818 1 2 3 4 65.11 2.20 1.4325 4 0 0 2 66.68 1.79 1.4028 2 1 3 4 67.52 1.02 1.3872 1 3 3 4 69.51 1.13 1.3524 2 2 3 4 75.19 1.40 1.2637 2 6 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.