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 = 1.6 K Note: atomic positions from ICSD _database_code_amcsd 0012714 CELL PARAMETERS: 5.7173 8.8312 4.8774 90.000 90.000 90.000 SPACE GROUP: Pmn2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 246.263 Density (g/cm3): 2.508 MAX. ABS. INTENSITY / VOLUME**2: 31.44726525 RIR: 4.084 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.02 100.00 8.8312 0 1 0 2 18.49 11.60 4.7993 1 1 0 4 20.11 1.46 4.4156 0 2 0 2 20.81 17.05 4.2695 0 1 1 2 23.98 3.55 3.7106 1 0 1 2 26.05 12.76 3.4209 1 1 1 4 27.24 1.56 3.2734 0 2 1 2 30.36 1.32 2.9437 0 3 0 2 31.29 18.89 2.8586 2 0 0 2 31.49 48.61 2.8408 1 2 1 4 32.93 1.76 2.7197 2 1 0 4 35.62 4.96 2.5203 0 3 1 2 36.86 5.37 2.4387 0 0 2 1 37.88 5.43 2.3754 2 1 1 4 38.29 1.36 2.3507 0 1 2 2 39.06 11.40 2.3062 1 3 1 4 41.96 6.28 2.1532 2 2 1 4 42.34 3.60 2.1348 0 2 2 2 43.96 2.41 2.0596 1 4 0 4 47.95 4.58 1.8973 1 4 1 4 48.47 4.46 1.8780 0 3 2 2 49.10 4.93 1.8553 2 0 2 2 50.25 6.24 1.8157 2 1 2 4 51.20 2.09 1.7842 1 3 2 4 51.76 1.65 1.7662 0 5 0 2 52.36 3.24 1.7473 2 4 0 4 52.59 2.40 1.7403 3 1 1 4 53.58 3.22 1.7105 2 2 2 4 54.37 2.75 1.6875 1 5 0 4 55.82 6.83 1.6470 3 2 1 4 56.20 2.56 1.6367 0 4 2 2 58.67 1.33 1.5735 1 4 2 4 58.83 1.10 1.5696 2 3 2 4 59.07 2.22 1.5638 1 0 3 2 60.09 2.41 1.5398 1 1 3 4 60.95 2.57 1.5201 3 3 1 4 61.74 3.74 1.5026 2 5 0 4 63.06 1.55 1.4741 1 2 3 4 65.22 1.21 1.4305 0 5 2 2 65.28 2.89 1.4293 4 0 0 2 66.24 1.06 1.4110 4 1 0 4 67.07 2.24 1.3955 2 1 3 4 67.73 1.20 1.3834 3 4 1 4 67.87 1.51 1.3810 1 3 3 4 69.89 1.51 1.3460 2 2 3 4 75.17 1.83 1.2639 2 6 1 4 80.39 1.08 1.1944 1 7 1 4 82.36 1.17 1.1708 1 5 3 4 85.07 1.09 1.1403 3 3 3 4 86.69 1.08 1.1232 2 7 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.