Goslarite Anderson J L, Peterson R C, Swaison I P Mineralogical Magazine 69 (2005) 259-271 Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O) Note: Combined neutron powder X-ray refinement Locality: Synthetic _database_code_amcsd 0020460 CELL PARAMETERS: 11.8176 12.0755 6.8270 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 974.236 Density (g/cm3): 1.960 MAX. ABS. INTENSITY / VOLUME**2: 7.037932229 RIR: 1.169 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.47 9.84 8.4460 1 1 0 4 14.67 4.28 6.0377 0 2 0 2 14.99 6.73 5.9115 1 0 1 4 16.49 70.16 5.3767 1 2 0 4 16.70 63.61 5.3094 1 1 1 4 16.70 4.90 5.3075 2 1 0 4 19.63 5.09 4.5228 0 2 1 4 19.87 49.97 4.4678 2 0 1 4 21.03 100.00 4.2240 1 2 1 4 21.04 19.52 4.2230 2 2 0 4 21.20 83.94 4.1902 2 1 1 4 23.35 3.60 3.8102 1 3 0 4 23.76 25.57 3.7450 3 1 0 4 25.69 32.05 3.4674 0 3 1 4 26.11 22.22 3.4135 0 0 2 2 26.12 1.52 3.4120 3 0 1 4 26.80 7.62 3.3271 1 3 1 4 26.80 4.99 3.3266 2 3 0 4 27.16 1.10 3.2834 3 1 1 4 28.20 4.50 3.1648 1 1 2 4 29.88 12.86 2.9905 2 3 1 4 30.07 1.82 2.9715 0 2 2 4 30.08 4.08 2.9705 3 2 1 4 30.24 2.08 2.9557 2 0 2 4 31.03 8.95 2.8818 1 2 2 4 31.15 14.04 2.8710 2 1 2 4 31.17 29.70 2.8698 4 1 0 4 31.78 5.17 2.8153 3 3 0 4 32.43 18.86 2.7610 0 4 1 4 33.33 14.84 2.6886 1 4 1 4 33.33 1.52 2.6883 2 4 0 4 33.76 21.52 2.6547 2 2 2 4 33.78 11.33 2.6537 4 2 0 4 34.45 1.57 2.6034 0 3 2 4 34.46 1.25 2.6027 3 3 1 4 35.30 1.41 2.5424 1 3 2 4 35.59 4.20 2.5228 3 1 2 4 35.90 9.39 2.5014 2 4 1 4 36.32 3.82 2.4734 4 2 1 4 37.54 1.92 2.3961 3 4 0 4 37.76 1.85 2.3824 2 3 2 4 37.77 1.13 2.3817 4 3 0 4 37.93 2.08 2.3722 3 2 2 4 38.03 3.22 2.3662 1 5 0 4 39.86 10.12 2.2614 0 4 2 4 39.87 4.47 2.2609 3 4 1 4 40.34 5.10 2.2357 1 5 1 4 40.34 2.91 2.2356 2 5 0 4 40.36 2.10 2.2346 1 0 3 4 40.62 4.88 2.2211 1 4 2 4 41.08 3.63 2.1973 1 1 3 4 41.10 18.76 2.1962 5 1 1 4 41.58 3.04 2.1719 3 3 2 4 42.45 11.45 2.1294 0 2 3 4 42.82 3.41 2.1120 2 4 2 4 43.17 9.98 2.0957 1 2 3 4 43.18 1.52 2.0951 4 2 2 4 43.19 7.47 2.0947 5 2 1 4 43.98 2.54 2.0589 3 5 0 4 44.45 2.89 2.0381 5 3 0 4 44.94 6.84 2.0172 4 4 1 4 45.27 4.81 2.0033 2 2 3 4 45.73 1.58 1.9840 1 6 0 4 45.80 3.97 1.9810 0 3 3 4 46.29 2.19 1.9612 3 4 2 4 46.48 1.07 1.9537 1 3 3 4 46.49 10.54 1.9532 4 3 2 4 46.71 2.25 1.9448 3 1 3 4 46.71 3.66 1.9447 1 5 2 4 47.39 3.02 1.9185 5 1 2 4 47.74 2.43 1.9052 1 6 1 4 47.74 3.08 1.9051 2 6 0 4 48.08 3.81 1.8924 6 0 1 4 48.47 6.13 1.8782 2 3 3 4 48.69 3.16 1.8702 2 5 2 4 48.70 4.43 1.8696 6 1 1 4 48.94 3.26 1.8610 5 4 0 4 49.26 2.32 1.8497 5 2 2 4 49.68 3.56 1.8350 2 6 1 4 50.54 1.54 1.8058 6 2 1 4 50.61 3.58 1.8034 4 5 1 4 50.63 1.03 1.8028 4 0 3 4 50.84 3.99 1.7961 1 4 3 4 51.23 3.83 1.7831 4 1 3 4 51.65 1.53 1.7698 3 3 3 4 51.86 4.37 1.7631 3 5 2 4 52.28 3.13 1.7499 5 3 2 4 52.70 3.07 1.7369 2 4 3 4 52.81 9.00 1.7335 3 6 1 4 53.41 3.68 1.7153 1 6 2 4 53.51 4.09 1.7126 6 3 1 4 53.70 1.58 1.7068 0 0 4 2 53.73 4.74 1.7060 6 0 2 4 54.28 1.84 1.6900 0 1 4 4 54.31 1.46 1.6892 1 0 4 4 54.31 1.78 1.6892 6 1 2 4 54.31 1.07 1.6892 5 5 0 4 54.90 3.94 1.6725 0 7 1 4 55.22 4.70 1.6636 2 6 2 4 55.49 1.50 1.6559 2 7 0 4 55.71 3.42 1.6501 3 4 3 4 55.72 2.76 1.6496 6 4 0 4 56.07 1.61 1.6402 1 5 3 4 56.09 1.75 1.6398 5 5 1 4 56.30 1.19 1.6340 5 4 2 4 56.58 1.69 1.6268 1 2 4 4 56.61 5.24 1.6259 7 2 0 4 56.65 3.96 1.6248 2 1 4 4 56.66 2.08 1.6244 5 1 3 4 56.68 1.90 1.6240 7 1 1 4 56.98 1.42 1.6160 4 6 1 4 57.82 1.35 1.5948 2 5 3 4 58.31 2.95 1.5824 2 2 4 4 58.33 1.41 1.5820 5 2 3 4 59.33 2.61 1.5576 1 3 4 4 61.02 1.07 1.5186 2 3 4 4 61.22 1.52 1.5140 5 5 2 4 62.32 2.23 1.4899 2 7 2 4 62.33 1.50 1.4897 4 7 0 4 62.54 1.20 1.4852 6 4 2 4 63.36 5.58 1.4679 7 2 2 4 64.50 1.08 1.4447 4 5 3 4 64.55 1.12 1.4438 8 0 1 4 66.40 1.43 1.4080 3 6 3 4 67.00 1.14 1.3967 6 3 3 4 67.16 1.02 1.3938 0 5 4 4 67.36 1.53 1.3902 3 4 4 4 67.69 1.32 1.3842 1 5 4 4 67.90 2.71 1.3804 3 8 1 4 68.22 1.54 1.3747 5 1 4 4 68.42 1.25 1.3712 1 8 2 4 68.75 1.13 1.3654 4 7 2 4 68.76 1.30 1.3653 5 7 1 4 69.29 3.39 1.3561 7 5 1 4 69.30 1.54 1.3559 7 0 3 4 69.99 1.02 1.3443 2 8 2 4 70.74 1.31 1.3318 0 2 5 4 71.26 1.11 1.3234 1 2 5 4 71.32 1.02 1.3223 2 1 5 4 71.54 1.30 1.3188 4 8 1 4 72.19 1.14 1.3085 5 3 4 4 72.20 1.03 1.3084 1 9 1 4 74.41 1.21 1.2749 6 7 1 4 75.60 1.47 1.2579 5 4 4 4 77.09 1.38 1.2372 1 4 5 4 80.66 1.16 1.1912 4 6 4 4 81.39 1.26 1.1823 7 5 3 4 87.78 1.04 1.1120 10 1 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.