Ba2Cu(BO3)2 Smith R W, Keszler D A Acta Crystallographica C46 (1990) 370-372 Structure of Ba2Cu(BO3)2 _database_code_amcsd 0010110 CELL PARAMETERS: 8.0230 11.2900 13.8890 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 1258.061 Density (g/cm3): 4.812 MAX. ABS. INTENSITY / VOLUME**2: 29.75004163 RIR: 2.013 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.10 8.21 8.7607 0 1 1 4 15.70 8.59 5.6450 0 2 0 2 16.89 11.32 5.2507 1 0 2 4 20.27 52.17 4.3810 1 2 1 8 20.27 28.74 4.3804 0 2 2 4 20.74 23.82 4.2835 0 1 3 4 22.16 5.22 4.0115 2 0 0 2 22.17 25.54 4.0099 1 0 3 4 23.08 6.59 3.8540 2 0 1 4 23.13 3.14 3.8447 1 2 2 8 23.54 3.18 3.7800 2 1 0 4 23.54 5.60 3.7787 1 1 3 8 24.40 16.54 3.6473 2 1 1 8 24.51 3.52 3.6324 0 3 1 4 25.65 6.36 3.4736 2 0 2 4 25.66 34.08 3.4722 0 0 4 2 26.85 36.51 3.3200 2 1 2 8 26.94 6.66 3.3090 1 3 1 8 27.27 3.65 3.2699 2 2 0 4 27.28 52.38 3.2691 1 2 3 8 28.00 22.39 3.1866 1 0 4 4 28.03 100.00 3.1829 2 2 1 8 29.12 10.65 3.0668 1 1 4 8 29.46 61.20 3.0317 2 0 3 4 30.21 83.09 2.9584 2 2 2 8 30.22 21.34 2.9575 0 2 4 4 30.53 1.79 2.9280 2 1 3 8 30.61 28.36 2.9202 0 3 3 4 31.70 64.77 2.8225 0 4 0 2 32.26 19.29 2.7750 1 2 4 8 32.63 17.98 2.7446 2 3 0 4 32.63 1.95 2.7441 1 3 3 8 33.21 12.99 2.6974 0 1 5 4 33.55 2.73 2.6709 2 2 3 8 34.14 19.69 2.6261 3 0 1 4 34.15 1.06 2.6254 2 0 4 4 34.29 1.12 2.6149 1 4 1 8 35.08 9.20 2.5578 3 1 1 8 35.16 6.50 2.5525 2 3 2 8 36.89 2.57 2.4368 3 1 2 8 36.96 17.27 2.4319 1 3 4 8 37.78 17.43 2.3811 3 2 1 8 37.80 4.98 2.3802 1 2 5 8 39.02 29.32 2.3081 1 4 3 8 39.48 4.15 2.2826 3 2 2 8 39.58 8.19 2.2771 2 4 1 8 39.73 7.50 2.2685 3 1 3 8 40.29 1.11 2.2384 2 1 5 8 40.36 3.43 2.2349 0 3 5 4 40.47 7.19 2.2287 0 5 1 4 40.56 6.53 2.2241 1 0 6 4 41.21 10.73 2.1905 2 4 2 8 41.22 22.04 2.1902 0 4 4 4 41.38 2.72 2.1822 1 1 6 8 41.95 5.82 2.1536 3 3 1 8 41.96 3.56 2.1532 2 3 4 8 41.96 4.93 2.1529 1 3 5 8 42.18 2.94 2.1425 3 2 3 8 42.19 1.08 2.1418 0 2 6 4 42.67 4.51 2.1187 3 0 4 4 42.71 24.58 2.1170 2 2 5 8 42.80 8.05 2.1129 1 4 4 8 43.63 1.65 2.0743 1 5 2 8 43.75 25.28 2.0693 1 2 6 8 43.82 34.63 2.0658 2 4 3 8 45.23 8.76 2.0050 2 0 6 4 45.70 8.95 1.9852 4 0 1 4 45.74 1.51 1.9836 3 2 4 8 45.96 1.31 1.9748 4 1 0 4 45.97 1.59 1.9741 2 1 6 8 46.02 2.71 1.9723 3 3 3 8 46.14 4.77 1.9675 1 5 3 8 46.44 2.50 1.9552 4 1 1 8 46.62 3.90 1.9482 2 5 1 8 47.16 2.65 1.9270 4 0 2 4 47.18 17.99 1.9266 3 0 5 4 47.19 16.92 1.9261 1 0 7 4 47.28 9.18 1.9226 3 4 1 8 47.29 7.50 1.9223 2 4 4 8 47.29 2.90 1.9222 1 4 5 8 48.06 18.37 1.8932 2 5 2 8 48.16 2.37 1.8893 2 2 6 8 48.62 4.16 1.8727 4 2 1 8 48.70 1.99 1.8696 3 4 2 8 49.47 1.37 1.8424 1 5 4 8 49.53 6.67 1.8405 4 0 3 4 50.01 33.43 1.8237 4 2 2 8 50.02 20.41 1.8233 3 2 5 8 50.04 6.16 1.8229 1 2 7 8 50.23 8.15 1.8162 1 6 1 8 50.23 2.95 1.8162 0 6 2 4 51.38 2.58 1.7785 2 0 7 4 51.47 1.39 1.7754 2 4 5 8 51.64 4.76 1.7700 4 3 0 4 51.66 2.23 1.7695 2 3 6 8 52.21 5.38 1.7521 0 5 5 4 52.27 1.18 1.7502 3 0 6 4 52.28 2.24 1.7498 4 2 3 8 52.37 2.07 1.7469 1 4 6 8 52.94 2.56 1.7296 3 1 6 8 53.43 1.14 1.7149 3 3 5 8 53.52 1.65 1.7121 3 5 1 8 53.53 1.60 1.7118 1 5 5 8 53.82 3.85 1.7034 1 6 3 8 54.04 4.69 1.6969 1 0 8 4 54.06 2.46 1.6963 2 2 7 8 54.25 7.92 1.6909 2 6 1 8 54.70 1.67 1.6780 1 1 8 8 54.92 2.88 1.6717 3 2 6 8 55.37 8.30 1.6594 0 2 8 4 55.54 10.60 1.6545 2 6 2 8 55.55 1.75 1.6544 0 6 4 4 55.59 2.17 1.6533 4 3 3 8 56.27 1.03 1.6350 4 4 0 4 56.28 7.77 1.6345 2 4 6 8 56.64 1.71 1.6250 1 2 8 8 56.69 2.74 1.6238 4 4 1 8 56.82 2.04 1.6203 1 6 4 8 56.96 2.06 1.6167 3 5 3 8 57.24 1.93 1.6095 4 1 5 8 57.53 2.50 1.6021 0 7 1 4 57.85 2.21 1.5940 5 0 1 4 57.95 1.86 1.5915 4 4 2 8 57.96 8.01 1.5912 3 4 5 8 57.97 13.69 1.5910 1 4 7 8 58.50 1.06 1.5777 2 1 8 8 59.12 2.54 1.5626 4 2 5 8 59.71 2.12 1.5486 5 1 2 8 59.78 2.88 1.5469 1 3 8 8 59.86 2.88 1.5451 3 5 4 8 60.01 5.86 1.5417 4 4 3 8 60.36 3.44 1.5335 3 2 7 8 60.36 2.24 1.5334 2 2 8 8 60.53 2.11 1.5296 3 6 1 8 60.54 2.68 1.5293 1 6 5 8 60.82 5.37 1.5231 0 7 3 4 61.13 3.88 1.5161 5 0 3 4 61.14 2.28 1.5159 4 0 6 4 61.55 1.32 1.5067 5 2 2 8 61.64 1.78 1.5047 2 4 7 8 61.74 1.96 1.5025 3 6 2 8 62.02 3.67 1.4964 2 7 0 4 62.19 1.09 1.4927 4 3 5 8 62.27 1.98 1.4909 4 5 1 8 62.43 1.19 1.4875 3 4 6 8 63.39 1.61 1.4672 2 3 8 8 63.46 1.15 1.4658 4 5 2 8 63.48 3.10 1.4654 1 5 7 8 63.55 1.98 1.4640 4 2 6 8 63.74 1.05 1.4601 0 6 6 4 63.91 3.16 1.4566 5 0 4 4 64.03 7.31 1.4543 1 4 8 8 64.13 6.77 1.4522 2 6 5 8 64.50 1.46 1.4446 5 1 4 8 64.55 2.06 1.4438 5 3 2 8 64.79 3.65 1.4390 1 7 4 8 64.91 4.64 1.4365 1 6 6 8 66.22 7.78 1.4112 0 8 0 2 67.48 6.21 1.3880 5 4 1 8 67.51 1.17 1.3875 2 4 8 8 67.74 4.77 1.3833 3 5 6 8 68.24 1.54 1.3744 3 7 1 8 68.25 1.47 1.3742 2 7 4 8 68.25 2.15 1.3742 1 7 5 8 68.37 1.05 1.3721 2 6 6 8 68.74 1.42 1.3657 4 6 1 8 69.17 1.39 1.3581 3 3 8 8 69.70 1.01 1.3492 5 2 5 8 69.73 3.62 1.3487 0 2 10 4 69.87 9.74 1.3463 4 6 2 8 69.88 5.73 1.3461 3 6 5 8 69.89 1.38 1.3460 1 6 7 8 70.41 2.63 1.3372 6 0 0 2 70.45 2.91 1.3366 3 0 9 4 70.51 4.22 1.3356 5 4 3 8 70.52 3.07 1.3355 4 4 6 8 70.78 1.70 1.3312 1 8 3 8 70.85 4.04 1.3300 1 2 10 8 71.42 1.49 1.3208 4 3 7 8 71.50 1.75 1.3196 4 5 5 8 71.55 1.18 1.3187 5 0 6 4 71.93 1.63 1.3127 4 0 8 4 72.11 1.11 1.3098 5 1 6 8 72.27 2.14 1.3074 0 8 4 4 72.50 2.21 1.3037 2 1 10 8 72.52 1.56 1.3034 5 3 5 8 72.67 4.46 1.3012 6 2 0 4 72.70 11.57 1.3007 3 2 9 8 73.11 5.42 1.2944 5 4 4 8 73.79 3.61 1.2842 5 2 6 8 73.96 1.48 1.2816 3 6 6 8 74.11 2.91 1.2794 2 8 3 8 74.34 2.77 1.2760 0 6 8 4 75.56 1.41 1.2583 1 5 9 8 75.66 1.50 1.2569 4 7 0 4 75.68 1.07 1.2567 2 7 6 8 76.20 1.65 1.2494 0 9 1 4 76.31 1.94 1.2478 6 0 4 4 76.35 2.53 1.2473 1 0 11 4 76.55 2.20 1.2445 5 3 6 8 76.65 1.56 1.2431 3 8 1 8 77.12 1.60 1.2368 4 7 2 8 77.13 1.05 1.2366 1 7 7 8 78.08 1.01 1.2240 5 5 4 8 78.50 4.43 1.2184 6 2 4 8 78.51 4.65 1.2183 5 2 7 8 78.54 1.12 1.2179 1 2 11 8 78.92 1.73 1.2130 4 7 3 8 79.28 2.78 1.2084 6 4 0 4 79.31 5.00 1.2080 3 4 9 8 79.60 1.03 1.2044 2 0 11 4 80.17 1.29 1.1972 1 9 3 8 80.18 1.02 1.1971 0 3 11 4 80.37 1.48 1.1948 5 4 6 8 80.52 1.48 1.1928 2 9 1 8 80.74 1.53 1.1903 4 4 8 8 81.23 1.61 1.1843 5 3 7 8 81.26 1.48 1.1840 1 3 11 8 81.60 5.52 1.1799 2 9 2 8 81.72 2.68 1.1784 5 0 8 4 82.52 2.46 1.1690 1 7 8 8 83.83 1.54 1.1540 2 8 6 8 84.17 1.00 1.1502 3 5 9 8 84.80 1.67 1.1433 0 9 5 4 84.93 1.16 1.1419 4 0 10 4 84.98 2.53 1.1413 6 4 4 8 85.02 3.01 1.1409 1 4 11 8 85.24 2.98 1.1385 3 8 5 8 85.25 2.96 1.1384 1 8 7 8 85.43 1.13 1.1365 7 1 1 8 85.59 1.42 1.1347 2 5 10 8 85.86 1.05 1.1318 1 9 5 8 86.75 1.12 1.1226 5 7 2 8 86.92 1.00 1.1208 3 9 2 8 87.04 1.56 1.1196 7 2 1 8 87.24 1.65 1.1175 0 6 10 4 87.54 1.14 1.1144 1 10 1 8 88.30 1.03 1.1068 1 6 10 8 89.75 1.08 1.0926 1 9 6 8 89.86 2.76 1.0916 7 2 3 8 89.91 3.26 1.0911 2 2 12 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.