Konyaite Leduc E M S, Peterson R C, Wang R American Mineralogist 94 (2009) 1005-1011 The crystal structure and hydrogen bonding of synthetic konyaite, Na2Mg(SO4)2*5H2O Locality: synthetic _database_code_amcsd 0004958 CELL PARAMETERS: 5.7690 23.9510 8.0460 90.000 95.425 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1106.763 Density (g/cm3): 2.115 MAX. ABS. INTENSITY / VOLUME**2: 4.802181196 RIR: 0.739 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.38 100.00 11.9755 0 2 0 2 11.65 5.41 7.5964 0 1 1 4 14.79 1.16 5.9878 0 4 0 2 15.43 3.09 5.7432 1 0 0 2 15.67 5.66 5.6546 0 3 1 4 17.12 2.92 5.1784 1 2 0 4 18.50 19.83 4.7959 0 4 1 4 19.04 1.03 4.6622 1 3 0 4 19.60 96.57 4.5283 -1 2 1 4 20.20 19.48 4.3955 1 1 1 4 21.21 23.40 4.1890 1 2 1 4 21.30 26.94 4.1709 -1 3 1 4 22.20 29.97 4.0050 0 0 2 2 22.27 62.23 3.9918 0 6 0 2 22.51 26.69 3.9501 0 1 2 4 23.48 5.23 3.7882 -1 4 1 4 24.85 14.43 3.5827 1 4 1 4 24.87 3.20 3.5798 0 3 2 4 24.92 1.14 3.5727 0 6 1 4 25.89 3.98 3.4413 -1 0 2 2 26.04 8.29 3.4224 -1 5 1 4 26.16 13.54 3.4063 -1 1 2 4 26.78 10.25 3.3290 0 4 2 4 26.96 5.38 3.3074 -1 2 2 4 27.28 14.06 3.2687 1 5 1 4 28.35 4.87 3.1484 1 0 2 2 28.36 1.38 3.1465 0 7 1 4 28.60 4.85 3.1216 1 1 2 4 28.87 6.96 3.0927 -1 6 1 4 29.06 7.47 3.0726 0 5 2 4 29.95 11.96 2.9836 -1 4 2 4 30.01 16.66 2.9778 1 6 1 4 30.52 3.82 2.9289 1 3 2 4 31.65 10.08 2.8273 0 6 2 4 31.91 5.38 2.8044 0 8 1 4 31.92 10.40 2.8037 -1 7 1 4 32.05 14.78 2.7924 2 2 0 4 32.33 8.92 2.7695 -2 1 1 4 32.96 24.54 2.7173 1 7 1 4 32.99 4.09 2.7155 -2 2 1 4 33.15 4.91 2.7021 2 3 0 4 33.76 11.29 2.6548 1 8 0 4 33.78 12.55 2.6535 0 1 3 4 34.06 5.94 2.6323 -2 3 1 4 34.08 20.51 2.6310 1 5 2 4 34.41 2.17 2.6060 0 2 3 4 34.64 32.74 2.5892 2 4 0 4 34.99 2.65 2.5645 2 2 1 4 35.14 2.91 2.5535 -1 8 1 4 35.55 2.84 2.5255 0 9 1 4 36.34 3.76 2.4720 1 6 2 4 36.86 1.71 2.4385 0 4 3 4 37.05 10.80 2.4264 -1 7 2 4 37.32 7.33 2.4097 -2 5 1 4 37.51 1.41 2.3979 0 8 2 4 37.51 13.77 2.3977 -1 3 3 4 37.53 4.44 2.3963 -2 2 2 4 38.61 8.31 2.3322 0 5 3 4 38.62 10.28 2.3311 2 6 0 4 38.69 1.30 2.3270 1 1 3 4 38.87 7.91 2.3168 1 7 2 4 39.13 2.14 2.3023 2 5 1 4 39.26 3.22 2.2947 0 10 1 4 39.81 2.14 2.2642 -2 4 2 4 40.52 1.19 2.2261 2 1 2 4 40.53 1.38 2.2258 -1 5 3 4 40.71 5.91 2.2165 0 9 2 4 41.07 2.21 2.1978 2 2 2 4 41.15 1.07 2.1935 2 6 1 4 41.45 2.03 2.1783 -2 5 2 4 41.46 3.60 2.1780 1 4 3 4 41.96 2.10 2.1529 2 3 2 4 42.00 1.58 2.1511 -1 10 1 4 42.50 4.02 2.1271 -1 6 3 4 42.83 2.55 2.1113 1 10 1 4 43.68 8.36 2.0724 2 8 0 4 44.05 4.16 2.0556 0 10 2 4 44.25 3.32 2.0471 -2 1 3 4 44.40 1.06 2.0404 -2 8 1 4 44.58 3.55 2.0324 1 9 2 4 44.75 1.30 2.0250 -2 2 3 4 45.29 1.08 2.0025 0 0 4 2 45.45 5.88 1.9955 0 1 4 4 45.59 2.30 1.9898 -2 3 3 4 45.59 2.17 1.9897 -2 7 2 4 45.60 2.73 1.9892 -1 11 1 4 46.38 3.03 1.9576 1 11 1 4 46.53 1.68 1.9519 2 9 0 4 46.56 1.37 1.9506 2 6 2 4 46.60 1.28 1.9490 -1 0 4 2 46.76 2.06 1.9426 -1 1 4 4 46.77 1.86 1.9423 0 3 4 4 47.08 5.19 1.9304 1 7 3 4 47.21 2.24 1.9251 -1 8 3 4 47.25 3.00 1.9237 -1 2 4 4 47.49 1.65 1.9144 3 0 0 2 47.90 2.09 1.8991 0 4 4 4 48.05 4.67 1.8934 -1 3 4 4 48.19 1.74 1.8883 -2 5 3 4 48.72 1.49 1.8690 2 9 1 4 48.87 4.40 1.8635 2 1 3 4 48.93 1.20 1.8616 3 3 0 4 49.31 4.47 1.8480 -1 12 1 4 49.56 2.54 1.8393 2 10 0 4 49.61 1.01 1.8376 1 0 4 2 49.92 1.08 1.8268 -2 6 3 4 50.12 2.14 1.8200 2 3 3 4 50.22 1.80 1.8168 -2 10 1 4 50.23 1.35 1.8163 1 2 4 4 50.31 2.94 1.8137 -3 4 1 4 50.64 2.89 1.8026 3 2 1 4 50.85 2.14 1.7955 0 13 1 4 51.13 3.16 1.7864 0 12 2 4 51.24 1.27 1.7829 0 10 3 4 51.40 3.96 1.7776 3 3 1 4 51.49 1.03 1.7747 -3 2 2 4 52.23 3.76 1.7514 -1 6 4 4 52.25 1.10 1.7508 -3 3 2 4 52.98 1.47 1.7283 0 7 4 4 53.24 1.19 1.7206 -2 0 4 2 53.29 2.49 1.7189 -3 4 2 4 53.33 4.29 1.7178 -3 6 1 4 53.40 2.35 1.7157 1 5 4 4 53.53 2.00 1.7118 2 9 2 4 53.55 1.47 1.7112 -2 10 2 4 53.57 1.20 1.7108 0 14 0 2 53.82 2.49 1.7035 1 13 1 4 53.83 2.98 1.7032 -2 2 4 4 54.37 2.03 1.6874 0 11 3 4 54.77 2.19 1.6760 2 11 1 4 54.85 1.37 1.6738 0 13 2 4 55.18 1.54 1.6645 0 8 4 4 55.40 2.36 1.6585 3 6 1 4 55.67 1.55 1.6511 3 2 2 4 56.09 3.09 1.6396 1 14 0 4 56.12 1.02 1.6389 2 12 0 4 56.29 1.40 1.6343 2 10 2 4 56.39 1.71 1.6318 3 3 2 4 56.86 4.00 1.6193 -2 5 4 4 56.87 1.20 1.6189 1 7 4 4 57.03 1.27 1.6149 -1 14 1 4 57.61 1.30 1.6001 0 9 4 4 58.64 1.49 1.5744 3 5 2 4 58.64 1.08 1.5742 2 0 4 2 58.68 2.11 1.5733 0 14 2 4 58.72 1.38 1.5724 -1 9 4 4 58.87 1.08 1.5687 -1 2 5 4 59.20 1.23 1.5608 2 2 4 4 61.30 2.42 1.5121 1 9 4 4 61.32 1.71 1.5117 -1 10 4 4 61.66 1.21 1.5042 3 9 1 4 61.92 1.35 1.4986 3 7 2 4 62.06 2.14 1.4955 2 5 4 4 62.11 3.19 1.4943 -2 11 3 4 63.49 2.65 1.4652 3 3 3 4 64.95 2.15 1.4358 4 0 0 2 65.07 3.46 1.4333 2 14 1 4 65.16 1.42 1.4316 -2 12 3 4 66.06 1.78 1.4143 -4 3 1 4 66.13 1.10 1.4131 -3 4 4 4 67.19 1.35 1.3933 2 8 4 4 67.35 1.84 1.3903 -3 9 3 4 67.66 1.16 1.3848 -3 11 2 4 67.83 1.17 1.3816 3 12 0 4 68.58 1.16 1.3683 1 17 0 4 69.65 1.07 1.3500 -2 11 4 4 69.89 2.32 1.3458 1 8 5 4 70.31 1.60 1.3389 -1 13 4 4 70.95 1.18 1.3283 -1 0 6 2 72.71 1.10 1.3004 3 9 3 4 74.51 1.33 1.2736 -3 3 5 4 75.42 1.08 1.2604 -1 6 6 4 76.66 1.19 1.2430 -3 10 4 4 79.00 1.63 1.2120 -2 11 5 4 81.52 1.67 1.1808 -4 9 3 4 83.61 1.20 1.1565 1 18 3 4 83.91 1.28 1.1531 3 4 5 4 86.24 1.37 1.1278 -5 2 2 4 86.50 1.54 1.1251 2 17 3 4 87.68 1.10 1.1130 4 2 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.