Retgersite McIntyre G J, Ptasiewicz-Bak H, Olovsson I Acta Crystallographica B46 (1990) 27-39 Bonding deformation and superposition effects in the electron density of tetragonal nickel sulfate hexadeuterate NiSO4*6D2O Sample: X-ray refinement _database_code_amcsd 0009838 CELL PARAMETERS: 6.7803 6.7803 18.2880 90.000 90.000 90.000 SPACE GROUP: P4_32_12 X-RAY WAVELENGTH: 1.541838 Cell Volume: 840.745 Density (g/cm3): 1.981 MAX. ABS. INTENSITY / VOLUME**2: 22.97360801 RIR: 3.777 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.93 6.90 6.3574 1 0 1 8 19.14 7.51 4.6377 1 1 1 8 19.41 32.57 4.5720 0 0 4 2 20.92 100.00 4.2461 1 1 2 8 23.61 4.50 3.7685 1 1 3 8 26.29 9.88 3.3902 2 0 0 4 26.74 5.33 3.3334 2 0 1 8 28.07 1.33 3.1787 2 0 2 8 30.16 12.56 2.9628 2 0 3 8 30.75 1.35 2.9080 1 1 5 8 31.07 1.75 2.8781 2 1 2 8 32.20 1.54 2.7800 1 0 6 8 32.89 15.60 2.7232 2 0 4 8 34.88 11.39 2.5722 1 1 6 8 35.53 4.14 2.5270 2 1 4 8 38.57 9.59 2.3344 2 1 5 8 40.20 1.09 2.2430 3 0 1 8 42.45 6.70 2.1295 3 1 1 8 42.58 3.18 2.1231 2 2 4 8 42.67 3.81 2.1191 3 0 3 8 43.35 4.24 2.0875 3 1 2 8 44.73 1.29 2.0261 3 0 4 8 44.81 3.24 2.0227 3 1 3 8 45.85 3.51 1.9792 2 1 7 8 46.80 1.14 1.9412 3 1 4 8 48.00 4.99 1.8954 2 0 8 8 48.40 1.85 1.8805 3 2 0 8 49.26 4.30 1.8497 3 1 5 8 49.96 2.70 1.8254 2 1 8 8 52.16 5.93 1.7537 3 1 6 8 53.64 4.19 1.7087 1 1 10 8 54.36 2.79 1.6878 4 0 1 8 55.44 1.43 1.6574 3 1 7 8 55.55 3.70 1.6544 2 2 8 8 56.16 1.37 1.6379 4 1 1 8 56.34 2.52 1.6331 4 0 3 8 60.17 1.76 1.5379 4 0 5 8 61.36 1.62 1.5109 4 2 1 8 63.03 1.19 1.4749 3 1 9 8 65.66 1.08 1.4220 4 0 7 8 66.79 1.52 1.4006 4 2 5 8 67.29 1.12 1.3914 3 1 10 8 67.37 1.12 1.3900 2 0 12 8 72.80 1.51 1.2992 5 1 3 8 75.42 1.44 1.2603 1 1 14 8 76.18 1.13 1.2497 5 1 5 8 80.89 1.03 1.1884 4 4 2 8 81.16 1.59 1.1851 5 1 7 8 87.71 1.13 1.1127 5 1 9 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.