Orthopinakiolite Takeuchi Y, Haga N, Kato T, Miura Y The Canadian Mineralogist 16 (1978) 475-485 Orthopinakiolite, Me2.95O2[BO3]: its crystal structure and relationship to pinakiolite, Me2.90O2[BO3] Note: z-coordinate of O9 changed. y-coordinate of M7* changed. _database_code_amcsd 0005157 CELL PARAMETERS: 18.3570 12.5910 6.0680 90.000 90.000 90.000 SPACE GROUP: Pnnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 1402.515 Density (g/cm3): 3.967 MAX. ABS. INTENSITY / VOLUME**2: 11.40920156 RIR: 0.937 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.52 6.44 10.3833 1 1 0 4 11.93 3.40 7.4170 2 1 0 4 14.07 1.37 6.2955 0 2 0 2 14.88 18.10 5.9550 1 2 0 4 15.38 2.08 5.7614 1 0 1 4 16.10 8.90 5.5035 3 1 0 4 16.22 3.67 5.4663 0 1 1 4 16.92 6.35 5.2390 1 1 1 8 17.08 77.86 5.1916 2 2 0 4 19.34 3.56 4.5893 4 0 0 2 20.90 2.34 4.2502 1 2 1 8 21.80 1.51 4.0766 3 1 1 8 25.27 9.36 3.5246 5 1 0 4 27.61 3.50 3.2309 2 3 1 8 28.20 1.65 3.1643 4 2 1 8 29.44 23.50 3.0340 0 0 2 2 30.06 1.43 2.9730 6 1 0 4 30.70 4.91 2.9122 1 1 2 8 31.87 9.75 2.8081 2 1 2 8 31.97 24.46 2.7991 3 4 0 4 32.54 9.73 2.7518 6 2 0 4 33.14 9.81 2.7034 1 2 2 8 33.57 2.19 2.6698 6 1 1 8 33.73 3.03 2.6570 3 1 2 8 34.55 100.00 2.5958 4 4 0 4 35.31 3.67 2.5417 3 4 1 8 35.47 81.90 2.5309 4 0 2 4 35.70 3.83 2.5148 5 3 1 8 35.83 1.32 2.5061 6 2 1 8 35.99 12.82 2.4955 3 2 2 8 36.00 6.01 2.4948 1 5 0 4 36.20 2.70 2.4813 4 1 2 8 36.88 2.95 2.4370 1 3 2 8 37.36 1.85 2.4072 7 0 1 4 37.64 4.65 2.3897 5 4 0 4 37.88 16.40 2.3751 2 3 2 8 39.18 15.54 2.2994 5 1 2 8 39.26 5.43 2.2946 8 0 0 2 40.88 25.96 2.2077 4 5 0 4 41.33 7.65 2.1845 0 4 2 4 41.64 1.72 2.1692 1 4 2 8 42.58 9.47 2.1235 6 1 2 8 42.74 1.64 2.1158 8 1 1 8 43.40 1.19 2.0849 1 6 0 4 43.58 3.88 2.0767 5 5 0 4 43.63 1.58 2.0746 4 5 1 8 44.01 1.64 2.0573 3 4 2 8 44.28 8.80 2.0457 2 6 0 4 44.34 5.17 2.0430 5 3 2 8 44.45 48.16 2.0383 6 2 2 8 45.71 6.00 1.9850 3 6 0 4 46.01 7.41 1.9724 4 4 2 8 46.33 1.72 1.9598 7 1 2 8 47.16 2.87 1.9270 1 5 2 8 47.44 31.16 1.9166 6 3 2 8 47.58 1.12 1.9110 9 1 1 8 47.65 2.40 1.9084 4 6 0 4 48.08 12.78 1.8923 7 2 2 8 50.07 1.17 1.8219 5 6 0 4 50.23 1.48 1.8164 7 5 0 4 50.91 2.36 1.7937 7 3 2 8 51.17 2.57 1.7851 4 5 2 8 51.79 2.05 1.7651 2 7 0 4 51.88 7.18 1.7623 10 2 0 4 52.91 1.07 1.7305 6 6 0 4 54.07 4.29 1.6962 2 6 2 8 54.68 5.72 1.6784 7 4 2 8 55.30 5.87 1.6611 3 6 2 8 56.28 4.82 1.6347 9 2 2 8 56.37 1.38 1.6322 5 3 3 8 57.01 1.73 1.6154 4 6 2 8 57.55 1.01 1.6016 7 0 3 4 58.21 1.41 1.5850 9 5 0 4 58.32 29.14 1.5822 8 4 2 8 58.66 3.44 1.5739 0 8 0 2 58.82 3.37 1.5698 9 3 2 8 58.89 5.86 1.5681 1 8 0 4 59.15 3.51 1.5619 5 6 2 8 59.60 1.67 1.5512 2 8 0 4 59.63 1.82 1.5506 6 7 0 4 60.70 36.47 1.5257 2 7 2 8 60.78 17.49 1.5239 10 2 2 8 61.09 29.31 1.5170 0 0 4 2 61.56 1.24 1.5064 8 1 3 8 61.71 5.39 1.5032 6 6 2 8 62.28 2.14 1.4908 9 4 2 8 63.05 2.04 1.4744 11 4 0 4 63.21 12.58 1.4710 10 3 2 8 63.93 3.35 1.4561 2 2 4 8 67.20 2.28 1.3931 1 8 2 8 67.86 2.49 1.3812 2 8 2 8 67.88 2.77 1.3807 6 7 2 8 68.15 11.48 1.3759 12 4 0 4 68.72 2.68 1.3659 12 0 2 4 68.94 1.66 1.3620 3 8 2 8 69.68 1.88 1.3495 7 8 0 4 70.45 1.93 1.3365 4 8 2 8 70.62 3.02 1.3337 3 4 4 8 70.94 2.31 1.3285 6 2 4 8 72.12 17.31 1.3097 4 4 4 8 72.26 2.96 1.3074 12 5 0 4 72.27 1.26 1.3073 5 9 0 4 72.88 2.18 1.2979 8 8 0 4 72.99 1.26 1.2962 1 5 4 8 73.51 1.20 1.2884 13 4 0 4 73.82 3.67 1.2837 14 2 0 4 74.02 1.31 1.2807 5 4 4 8 75.06 2.76 1.2655 8 0 4 4 76.04 1.07 1.2516 14 3 0 4 76.14 3.25 1.2503 4 5 4 8 76.44 1.17 1.2460 9 8 0 4 78.05 1.32 1.2244 4 9 2 8 78.49 2.19 1.2185 2 6 4 8 79.52 1.69 1.2053 3 6 4 8 84.22 2.51 1.1497 10 2 4 8 84.43 5.78 1.1473 16 0 0 2 88.60 3.88 1.1038 8 10 0 4 89.79 1.66 1.0922 0 8 4 4 89.99 2.83 1.0903 1 8 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.