Ulexite Ghose S, Wan C, Clark J R American Mineralogist 63 (1978) 160-171 Ulexite, NaCaB5O6(OH)6*5H2O: Structure refinement, polyanion configuration, hydrogen bonding, and fiber optics _database_code_amcsd 0000611 CELL PARAMETERS: 8.8160 12.8700 6.6780 90.360 109.050 104.980 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 688.445 Density (g/cm3): 1.955 MAX. ABS. INTENSITY / VOLUME**2: 3.527704139 RIR: 0.588 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.15 100.00 12.3712 0 1 0 2 11.05 23.91 8.0104 1 0 0 2 11.39 58.94 7.7719 -1 1 0 2 14.10 2.24 6.2811 0 0 1 2 14.74 34.59 6.0104 1 1 0 2 15.17 20.83 5.8395 0 -1 1 2 15.59 10.28 5.6833 -1 1 1 2 16.45 6.33 5.3888 0 1 1 2 17.05 4.64 5.2005 -1 -1 1 2 19.11 8.76 4.6438 0 -2 1 2 19.36 8.09 4.5857 -1 2 1 2 20.42 2.55 4.3501 1 -1 1 2 20.42 17.02 4.3500 1 2 0 2 20.72 3.78 4.2863 1 0 1 2 21.14 1.70 4.2036 0 2 1 2 21.34 25.08 4.1630 -1 3 0 2 21.35 9.31 4.1614 -2 1 0 2 21.52 3.19 4.1291 -2 1 1 2 21.69 2.95 4.0967 -1 -2 1 2 21.90 3.14 4.0592 -2 0 1 2 22.20 5.37 4.0052 2 0 0 2 22.89 1.23 3.8859 -2 2 0 2 23.38 2.12 3.8047 1 1 1 2 24.51 3.67 3.6323 -2 -1 1 2 24.74 8.98 3.5987 -1 3 1 2 26.91 6.49 3.3135 1 3 0 2 27.65 16.86 3.2265 -1 1 2 2 27.76 1.54 3.2141 1 2 1 2 27.91 10.72 3.1964 -1 4 0 2 28.42 10.59 3.1405 0 0 2 2 28.62 16.56 3.1187 0 -1 2 2 28.79 4.39 3.1014 -2 -2 1 2 28.87 16.67 3.0928 0 4 0 2 29.29 6.32 3.0495 2 -1 1 2 29.59 16.29 3.0187 -2 0 2 2 29.66 14.65 3.0116 -2 1 2 2 29.73 3.64 3.0052 2 2 0 2 30.27 3.61 2.9529 2 0 1 2 30.58 12.71 2.9233 -1 -2 2 2 30.62 12.95 2.9197 0 -2 2 2 30.65 1.29 2.9171 -3 1 1 2 31.29 11.91 2.8586 -2 4 0 2 31.37 5.78 2.8515 -3 2 1 2 31.48 14.23 2.8416 -2 2 2 2 31.65 6.87 2.8271 -3 0 1 2 31.83 1.37 2.8116 1 -4 1 2 32.29 9.81 2.7724 -3 1 0 2 32.40 3.48 2.7634 -2 4 1 2 32.66 2.45 2.7418 -3 2 0 2 32.90 1.82 2.7227 2 1 1 2 33.23 23.10 2.6959 1 3 1 2 33.25 1.32 2.6944 0 2 2 2 33.54 6.38 2.6716 0 4 1 2 33.56 18.49 2.6701 3 0 0 2 33.82 5.77 2.6502 1 4 0 2 34.02 2.15 2.6355 1 0 2 2 34.13 4.45 2.6274 0 -3 2 2 34.17 2.24 2.6243 -2 -3 1 2 34.44 13.64 2.6044 -1 3 2 2 34.49 9.31 2.6002 -2 -2 2 2 34.60 1.72 2.5927 1 -2 2 2 34.62 3.15 2.5906 -3 3 0 2 34.76 5.22 2.5808 -1 -3 2 2 34.88 11.69 2.5724 -1 5 0 2 35.28 4.55 2.5439 2 3 0 2 36.00 1.88 2.4948 -3 0 2 2 36.44 1.21 2.4656 2 -4 1 2 37.07 4.94 2.4249 -2 5 0 2 37.15 2.11 2.4200 1 -3 2 2 37.42 4.66 2.4034 -3 4 1 2 37.69 2.30 2.3869 0 3 2 2 37.73 2.68 2.3842 0 -5 1 2 38.31 4.95 2.3493 -2 5 1 2 38.78 6.53 2.3219 0 -4 2 2 39.29 6.19 2.2928 -2 4 2 2 39.63 2.56 2.2740 3 -1 1 2 39.67 3.02 2.2718 3 -2 1 2 40.28 5.82 2.2388 -2 -4 1 2 40.31 7.14 2.2373 3 2 0 2 40.67 1.30 2.2183 -1 0 3 2 40.94 1.40 2.2042 -1 -5 1 2 40.97 3.99 2.2027 3 0 1 2 41.08 4.89 2.1970 3 -3 1 2 41.34 1.47 2.1841 2 -5 1 2 41.37 2.62 2.1824 -3 -2 2 2 41.52 1.64 2.1750 2 -2 2 2 41.52 3.78 2.1750 2 4 0 2 41.64 5.47 2.1690 -2 1 3 2 42.47 3.88 2.1286 -4 0 1 2 42.91 1.09 2.1075 -1 -2 3 2 43.18 11.18 2.0951 2 -3 2 2 43.58 1.50 2.0767 3 1 1 2 43.61 3.92 2.0755 -4 1 2 2 43.76 13.21 2.0689 -4 1 0 2 43.76 2.88 2.0687 3 -4 1 2 43.85 1.22 2.0645 -4 2 2 2 43.91 6.08 2.0619 0 6 0 2 44.27 3.84 2.0458 0 -2 3 2 44.43 3.73 2.0392 2 1 2 2 44.52 1.15 2.0353 -4 3 0 2 44.60 4.96 2.0314 0 1 3 2 44.63 3.68 2.0306 -2 -2 3 2 44.65 2.59 2.0296 -4 0 2 2 44.81 1.57 2.0227 -3 1 3 2 44.81 2.19 2.0224 -2 6 1 2 44.89 5.37 2.0193 0 -6 1 2 45.01 2.59 2.0143 -4 4 1 2 45.05 4.86 2.0125 -3 0 3 2 45.26 2.13 2.0035 3 3 0 2 45.36 2.84 1.9994 -4 3 2 2 45.45 6.75 1.9958 -1 5 2 2 45.72 7.79 1.9844 1 -5 2 2 46.14 5.23 1.9673 1 5 1 2 46.53 5.21 1.9519 -3 -1 3 2 46.66 1.24 1.9465 0 -3 3 2 46.87 2.70 1.9385 -3 5 2 2 46.90 6.52 1.9373 -4 -1 2 2 46.94 2.81 1.9357 -2 -5 1 2 47.03 1.03 1.9323 2 -6 1 2 47.07 6.10 1.9305 -1 3 3 2 47.19 3.65 1.9260 0 2 3 2 47.74 3.07 1.9051 -3 6 1 2 47.92 2.28 1.8983 1 -1 3 2 47.98 1.05 1.8961 4 1 0 2 48.21 1.68 1.8875 -1 -6 1 2 48.50 6.01 1.8769 1 -2 3 2 48.53 1.01 1.8759 1 6 0 2 48.66 1.44 1.8713 -4 5 1 2 49.17 4.03 1.8531 1 4 2 2 49.67 2.30 1.8355 -1 7 0 2 49.90 1.73 1.8277 -1 -4 3 2 50.08 1.02 1.8214 -4 5 0 2 50.36 1.06 1.8118 -2 7 0 2 50.42 1.39 1.8101 4 -2 1 2 50.48 1.33 1.8079 0 -6 2 2 50.74 1.53 1.7993 -2 6 2 2 50.83 1.81 1.7963 0 3 3 2 50.97 6.21 1.7917 -3 -4 2 2 50.97 1.89 1.7916 3 4 0 2 51.29 2.36 1.7813 1 -6 2 2 51.75 1.96 1.7667 -4 5 2 2 52.16 4.38 1.7535 2 3 2 2 52.22 1.17 1.7518 3 -6 1 2 52.26 2.13 1.7503 -3 6 2 2 52.28 2.00 1.7500 -1 7 1 2 52.39 2.16 1.7464 -2 -4 3 2 52.62 1.77 1.7395 -5 3 1 2 52.62 1.65 1.7393 -4 3 3 2 53.15 1.34 1.7232 -5 2 2 2 53.35 1.09 1.7173 2 -7 1 2 53.41 2.27 1.7154 -5 1 2 2 53.42 4.90 1.7150 3 -4 2 2 53.96 2.04 1.6992 -3 7 1 2 53.97 3.09 1.6990 2 5 1 2 54.73 1.09 1.6771 -2 5 3 2 55.04 1.23 1.6685 2 -1 3 2 55.10 2.62 1.6669 -2 0 4 2 55.91 2.93 1.6445 -5 4 2 2 57.38 1.55 1.6058 -2 7 2 2 57.57 2.06 1.6010 -2 -5 3 2 57.75 1.34 1.5964 3 2 2 2 58.68 1.08 1.5732 -4 -4 1 2 58.72 2.18 1.5724 4 2 1 2 59.46 1.56 1.5546 -4 7 0 2 60.06 1.14 1.5404 -2 -3 4 2 61.00 2.59 1.5189 -4 1 4 2 61.45 1.03 1.5089 -5 4 3 2 62.67 1.48 1.4825 -5 6 2 2 63.08 1.48 1.4738 2 7 0 2 63.22 1.40 1.4708 2 5 2 2 64.21 1.20 1.4506 4 -7 1 2 64.76 1.25 1.4396 -4 -5 1 2 65.45 1.07 1.4259 -4 -5 2 2 72.28 1.13 1.3071 -5 8 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.