Hydroboracite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060713 Sabelli C, Stoppioni A The Canadian Mineralogist 16 (1978) 75-80 Refinement of the crystal structure of hydroboracite CELL PARAMETERS: 11.7590 6.6820 8.2260 90.000 102.601 90.000 SPACE GROUP: P2/c ATOM X Y Z OCCUPANCY ISO(B) Mg 0.00000 0.00000 0.00000 1.000 0.750 Ca 0.50000 0.47388 0.25000 1.000 0.520 O 0.00000 0.12380 0.25000 1.000 1.010 O 0.05040 0.27720 0.59660 1.000 1.370 Oh 0.16670 0.90610 0.53590 1.000 0.990 O 0.19100 0.34190 0.24680 1.000 0.800 O 0.17580 0.55150 0.46780 1.000 0.890 O 0.34870 0.72990 0.60520 1.000 0.800 O 0.32660 0.61140 0.32090 1.000 0.870 Oh 0.35440 0.96720 0.39360 1.000 1.160 Oh 0.50930 0.71600 0.47170 1.000 0.970 B 0.22510 0.71250 0.59120 1.000 0.660 B 0.38480 0.76140 0.44800 1.000 0.690 B 0.23250 0.50390 0.34360 1.000 0.630 H 0.06400 0.19700 0.24900 1.000 4.500 H 0.09200 0.37000 0.55400 1.000 4.500 H -0.02500 0.33500 0.57500 1.000 4.500 H 0.23000 0.92700 0.48900 1.000 4.500 H 0.35300 0.06900 0.29800 1.000 4.500 H 0.44600 0.17900 0.48300 1.000 4.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 6 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 3.238725951 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.70 17.77 11.4758 1 0 0 13.25 52.23 6.6820 0 1 0 15.34 79.97 5.7744 1 1 0 15.44 2.09 5.7379 2 0 0 17.27 14.40 5.1357 0 1 1 17.91 77.80 4.9525 -1 1 1 19.90 100.00 4.4613 1 1 1 20.40 10.62 4.3532 2 1 0 21.80 1.29 4.0761 -1 0 2 22.15 14.32 4.0139 0 0 2 24.13 17.76 3.6887 -2 0 2 24.83 30.25 3.5861 2 1 1 25.05 10.78 3.5549 1 0 2 25.60 1.27 3.4798 -1 1 2 25.89 49.14 3.4408 0 1 2 26.86 72.95 3.3198 3 1 0 27.62 18.26 3.2293 -2 1 2 28.44 12.38 3.1384 1 1 2 29.35 3.03 3.0434 -1 2 1 29.82 5.14 2.9963 2 0 2 30.64 2.09 2.9181 1 2 1 31.04 14.80 2.8812 3 1 1 31.18 4.65 2.8689 4 0 0 31.55 10.73 2.8354 -3 1 2 32.76 1.11 2.7340 2 1 2 33.59 4.85 2.6682 -4 1 1 34.01 8.39 2.6362 4 1 0 34.14 4.63 2.6266 2 2 1 34.22 1.80 2.6201 -4 0 2 34.72 2.34 2.5839 -1 2 2 34.94 3.13 2.5679 0 2 2 35.39 1.76 2.5365 -1 1 3 35.68 2.95 2.5163 3 2 0 35.83 5.27 2.5060 -3 2 1 36.16 9.52 2.4842 0 1 3 36.28 4.69 2.4763 -2 2 2 36.38 34.07 2.4693 -2 1 3 36.92 95.73 2.4345 1 2 2 38.60 3.35 2.3322 1 1 3 39.02 15.22 2.3085 3 2 1 39.25 2.64 2.2952 5 0 0 39.44 1.10 2.2847 -3 2 2 40.44 14.68 2.2307 2 2 2 40.50 3.60 2.2273 0 3 0 40.76 31.46 2.2137 -5 1 1 40.81 9.08 2.2111 -5 0 2 41.49 1.35 2.1766 4 2 0 41.61 8.36 2.1707 5 1 0 42.54 1.41 2.1250 4 0 2 43.32 2.14 2.0886 0 2 3 43.34 6.29 2.0878 1 3 1 43.92 11.17 2.0617 -4 2 2 44.08 2.46 2.0545 -1 0 4 44.45 4.87 2.0380 -2 0 4 44.75 6.36 2.0251 4 1 2 45.18 4.24 2.0070 0 0 4 45.19 2.23 2.0064 3 2 2 45.44 2.95 1.9959 1 2 3 45.48 1.99 1.9943 5 1 1 45.82 11.43 1.9805 -3 2 3 46.00 20.66 1.9728 2 3 1 46.23 7.65 1.9638 -1 1 4 46.27 14.58 1.9620 -3 0 4 46.59 4.18 1.9494 -2 1 4 46.64 2.93 1.9476 0 3 2 47.22 8.11 1.9248 3 3 0 47.34 4.05 1.9202 -3 3 1 47.54 26.07 1.9126 6 0 0 47.70 25.82 1.9067 -2 3 2 48.21 1.42 1.8874 1 3 2 48.35 6.95 1.8825 -3 1 4 49.42 10.30 1.8443 -4 0 4 49.43 12.30 1.8439 -5 2 2 49.70 9.02 1.8343 1 1 4 49.92 1.73 1.8268 3 3 1 50.04 2.26 1.8227 -6 1 2 51.10 5.76 1.7875 2 3 2 51.40 1.43 1.7778 -4 1 4 51.41 2.39 1.7774 2 0 4 51.68 4.83 1.7688 -4 3 1 52.60 1.64 1.7399 -2 2 4 53.24 3.58 1.7204 0 2 4 53.33 2.48 1.7177 2 1 4 53.40 2.18 1.7158 6 1 1 53.44 7.31 1.7145 3 2 3 53.46 3.27 1.7140 4 1 3 54.04 4.24 1.6970 -4 3 2 54.97 3.34 1.6705 0 4 0 55.35 3.57 1.6599 6 2 0 55.35 1.28 1.6597 1 3 3 55.47 1.60 1.6566 1 2 4 55.58 1.31 1.6535 -5 1 4 55.60 1.79 1.6531 1 4 0 55.75 1.15 1.6488 -7 0 2 55.78 1.82 1.6480 -6 2 2 56.10 4.94 1.6394 7 0 0 56.21 4.72 1.6364 3 0 4 57.46 3.52 1.6039 2 4 0 57.47 5.13 1.6036 5 2 2 57.83 3.52 1.5945 -2 1 5 57.90 1.22 1.5927 -1 1 5 57.92 4.57 1.5922 7 1 0 57.94 1.01 1.5916 -2 4 1 58.03 3.39 1.5894 3 1 4 58.36 2.61 1.5811 2 3 3 58.83 1.55 1.5696 -4 3 3 58.85 2.06 1.5692 2 2 4 59.00 3.56 1.5656 -6 0 4 59.45 4.19 1.5547 2 4 1 59.53 3.90 1.5529 6 1 2 59.83 1.11 1.5457 -1 4 2 59.98 2.34 1.5423 0 4 2 60.19 6.49 1.5375 4 3 2 61.39 2.04 1.5102 -1 3 4 62.85 1.90 1.4786 -7 2 2 63.07 3.69 1.4739 -3 4 2 63.16 1.10 1.4722 -1 2 5 63.65 1.77 1.4619 4 1 4 64.56 1.09 1.4436 4 4 0 64.58 1.36 1.4431 -6 3 2 64.71 1.57 1.4406 6 2 2 65.15 1.35 1.4319 -7 0 4 65.67 1.46 1.4218 -8 1 2 66.13 2.51 1.4130 5 3 2 66.37 1.06 1.4086 -4 4 2 66.82 4.30 1.4001 -7 1 4 67.34 1.59 1.3905 3 4 2 67.51 1.40 1.3874 4 3 3 68.66 1.08 1.3670 4 2 4 69.02 1.78 1.3608 -5 4 1 70.07 1.82 1.3429 -2 1 6 70.12 1.55 1.3420 5 1 4 70.18 1.37 1.3411 -7 3 1 70.67 1.46 1.3329 -5 4 2 71.43 1.96 1.3206 -1 3 5 71.78 3.12 1.3150 -1 5 1 72.58 1.69 1.3025 0 3 5 72.62 4.21 1.3018 7 2 2 73.27 2.70 1.2920 -2 4 4 74.87 1.71 1.2682 -2 2 6 74.91 1.68 1.2676 7 3 1 75.27 3.73 1.2625 -1 2 6 75.33 2.84 1.2616 3 5 0 75.54 1.73 1.2586 -3 2 6 75.69 1.20 1.2565 -2 5 2 75.83 1.58 1.2546 6 0 4 76.80 1.32 1.2411 -9 1 3 78.52 2.91 1.2182 -8 3 2 79.59 1.23 1.2045 -7 3 4 80.05 1.22 1.1987 -5 2 6 80.44 1.05 1.1939 -2 5 3 80.80 1.51 1.1894 -8 1 5 81.26 2.55 1.1839 8 2 2 82.35 1.76 1.1710 -2 4 5 82.41 1.46 1.1703 -1 4 5 82.43 1.38 1.1701 7 4 0 82.65 1.74 1.1674 -2 3 6 86.01 1.06 1.1303 0 1 7 86.43 2.39 1.1258 5 5 1 88.42 3.07 1.1056 -10 0 4 88.92 1.98 1.1007 8 3 2 89.55 1.23 1.0945 1 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.