Nobleite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060847 Karanovic L, Rosic A, Poleti D European Journal of Mineralogy 16 (2004) 825-833 Crystal structure of nobleite, Ca[B6O9(OH)2]*3H2O, from Jarandol (Serbia) Note: Ca analogue of tunellite Locality: Kopaonik Mt, central Serbia CELL PARAMETERS: 14.5230 7.9940 9.8220 90.000 111.790 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Ca 0.19040 0.05330 0.21720 1.000 1.184 B 0.18380 0.14960 0.84440 1.000 0.947 B 0.18450 0.15100 0.58090 1.000 0.947 B 0.03710 0.23240 0.62830 1.000 1.263 B 0.29800 -0.05650 0.77190 1.000 0.947 B 0.24400 -0.11590 0.51210 1.000 1.026 B 0.24960 -0.11370 0.98250 1.000 0.947 O 0.19320 0.02910 0.95970 1.000 1.105 O 0.19930 0.03590 0.47710 1.000 1.184 O -0.05460 0.30610 0.57420 1.000 2.132 O 0.02840 0.18730 0.20820 1.000 3.079 O 0.39020 0.03390 0.80260 1.000 1.658 O 0.25340 -0.20050 0.39810 1.000 1.184 O 0.27990 -0.17370 0.65200 1.000 1.263 O 0.25300 -0.20510 0.10040 1.000 1.184 O 0.29950 -0.15740 0.89550 1.000 1.105 O 0.08060 0.19990 0.77440 1.000 1.342 O 0.08070 0.19680 0.53170 1.000 1.342 O 0.06130 -0.14460 0.10610 1.000 1.895 O 0.36610 0.09170 0.28920 1.000 2.527 O 0.21460 0.06740 0.72980 1.000 0.869 H -0.07800 0.33700 0.63600 1.000 3.632 H -0.02600 0.16100 0.13700 1.000 9.475 H 0.00800 0.18000 0.29000 1.000 9.475 H 0.43100 -0.03300 0.82100 1.000 4.658 H 0.09000 -0.25300 0.12900 1.000 6.001 H 0.01100 -0.14800 0.13000 1.000 4.658 H 0.40200 0.07200 0.25900 1.000 10.264 H 0.39000 0.12000 0.37300 1.000 7.106 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 7 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 8.065845314 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.70 1.20 9.1202 0 0 1 12.87 11.48 6.8766 1 1 0 13.12 1.15 6.7504 -2 0 1 13.13 100.00 6.7427 2 0 0 14.74 5.24 6.0116 0 1 1 17.20 21.55 5.1541 2 1 0 17.56 1.93 5.0504 1 1 1 19.02 4.17 4.6656 -2 0 2 19.05 5.07 4.6579 2 0 1 19.47 5.66 4.5601 0 0 2 22.06 3.24 4.0295 -2 1 2 22.09 2.33 4.0246 2 1 1 22.45 1.11 3.9610 0 1 2 22.69 6.40 3.9181 3 1 0 23.21 2.26 3.8322 1 2 0 24.31 4.59 3.6609 0 2 1 24.52 1.22 3.6307 -4 0 1 25.91 6.30 3.4393 -2 2 1 25.91 15.38 3.4383 2 2 0 26.16 4.32 3.4070 1 2 1 26.41 2.68 3.3752 -4 0 2 26.44 7.67 3.3713 4 0 0 26.97 1.15 3.3058 -4 1 1 27.38 3.67 3.2576 2 0 2 28.71 1.45 3.1094 -4 1 2 28.74 7.82 3.1064 4 1 0 28.81 5.42 3.0992 -1 2 2 29.07 8.87 3.0715 -3 2 1 29.38 5.15 3.0401 0 0 3 29.43 2.99 3.0354 -2 2 2 29.45 1.07 3.0333 2 2 1 29.72 3.86 3.0058 0 2 2 29.80 4.28 2.9983 -1 1 3 29.91 10.18 2.9870 3 2 0 30.85 1.42 2.8987 -3 1 3 31.47 3.89 2.8427 -4 0 3 31.48 10.32 2.8415 0 1 3 31.50 1.58 2.8403 -3 2 2 32.05 6.89 2.7923 1 2 2 33.46 1.47 2.6784 -4 1 3 34.30 1.70 2.6141 1 3 0 34.81 2.52 2.5770 4 2 0 35.08 4.38 2.5577 0 3 1 35.12 11.42 2.5555 5 1 0 36.24 1.43 2.4785 -2 3 1 36.43 1.83 2.4664 1 3 1 36.62 2.51 2.4539 -2 0 4 37.49 3.95 2.3989 -6 0 1 38.41 1.06 2.3436 2 1 3 38.65 1.48 2.3297 -3 3 1 38.92 1.50 2.3139 -2 3 2 39.19 3.74 2.2986 -6 1 2 39.21 2.94 2.2977 -6 1 1 39.31 4.19 2.2922 3 3 0 39.74 1.76 2.2680 1 2 3 40.27 4.12 2.2394 -4 1 4 40.34 2.38 2.2357 5 2 0 41.01 1.33 2.2006 1 3 2 41.75 4.39 2.1637 6 1 0 42.87 3.07 2.1094 -5 1 4 43.26 15.90 2.0913 -2 2 4 43.28 7.14 2.0905 4 3 0 43.30 2.89 2.0897 2 2 3 44.02 6.60 2.0571 -1 2 4 44.15 1.42 2.0513 1 1 4 44.99 6.83 2.0148 -4 2 4 45.82 5.19 1.9805 0 2 4 45.90 6.67 1.9769 1 4 0 46.35 3.20 1.9591 6 2 0 46.44 1.89 1.9553 5 1 2 46.47 1.79 1.9542 6 1 1 47.39 1.68 1.9185 -5 2 4 48.00 3.84 1.8956 5 3 0 48.61 1.75 1.8729 7 1 0 49.23 1.35 1.8509 -1 4 2 49.40 2.66 1.8450 -3 4 1 49.94 4.96 1.8262 3 4 0 50.70 4.71 1.8006 -7 1 4 51.23 1.03 1.7833 -6 3 2 52.57 3.99 1.7410 3 1 4 52.75 1.25 1.7354 7 2 0 53.32 1.84 1.7180 6 3 0 54.43 1.04 1.6858 5 1 3 54.43 1.05 1.6857 8 0 0 59.12 1.30 1.5628 4 3 3 59.93 1.13 1.5434 -3 4 4 77.85 1.19 1.2270 -4 0 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.