Henmilite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060257 Nakai I, Okada H, Masutomi K, Koyama E, Nagashima K American Mineralogist 71 (1986) 1236-1239 Henmilite, Ca2Cu(OH)4[B(OH)4]2, a new mineral from Fuka, Okayama Prefecture, Japan. II. Crystal structure CELL PARAMETERS: 5.7720 7.9890 5.6485 109.640 91.500 83.690 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.50791 0.24095 0.22595 1.000 0.798 Cu 0.00000 0.00000 0.00000 1.000 0.892 B 0.27900 0.40680 0.74800 1.000 0.784 O 0.30610 -0.01920 0.14550 1.000 1.028 O 0.84040 0.06840 0.32390 1.000 1.190 O 0.24670 0.29070 0.89720 1.000 1.055 O 0.15230 0.35380 0.51060 1.000 1.184 O 0.78790 0.40550 0.09780 1.000 0.979 O 0.52610 0.39830 0.67420 1.000 1.085 H 0.70500 0.04000 0.73500 1.000 0.500 H 0.92300 0.06500 0.42700 1.000 2.000 H 0.22600 0.19400 0.82800 1.000 3.400 H 0.04300 0.41800 0.52600 1.000 2.000 H 0.90400 0.38500 0.05800 1.000 2.000 H 0.61900 0.38700 0.76800 1.000 1.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 7.493885262 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.83 14.70 7.4807 0 1 0 15.45 1.71 5.7367 1 0 0 16.67 54.19 5.3195 0 0 1 16.90 100.00 5.2448 0 -1 1 18.45 15.43 4.8084 1 1 0 20.50 42.57 4.3331 -1 1 0 22.22 4.40 4.0004 -1 -1 1 22.67 30.72 3.9232 1 0 1 22.93 1.34 3.8784 -1 0 1 23.55 2.24 3.7779 0 1 1 23.71 7.22 3.7532 1 -1 1 23.79 3.84 3.7404 0 2 0 24.06 38.61 3.6985 0 -2 1 27.02 74.25 3.2995 1 2 0 27.45 9.21 3.2497 1 1 1 29.10 25.90 3.0684 -1 1 1 29.89 12.67 2.9897 -1 2 0 30.00 7.30 2.9781 1 -2 1 31.18 3.91 2.8683 2 0 0 31.70 2.73 2.8226 0 -1 2 32.20 1.71 2.7799 2 1 0 34.67 29.68 2.5872 -2 -1 1 34.68 6.07 2.5869 -2 1 0 35.03 2.27 2.5616 -1 -1 2 35.38 4.97 2.5369 2 0 1 35.73 1.57 2.5127 -2 0 1 35.85 3.33 2.5047 1 -1 2 35.94 1.62 2.4988 1 2 1 36.02 26.08 2.4936 0 3 0 36.12 49.72 2.4866 -1 -3 1 36.66 26.66 2.4514 2 -1 1 36.76 1.90 2.4449 -1 -2 2 37.09 34.12 2.4237 1 0 2 37.43 25.11 2.4025 -1 0 2 37.76 19.21 2.3823 1 3 0 38.19 2.62 2.3564 2 1 1 38.37 21.47 2.3461 -1 2 1 38.65 2.72 2.3294 1 -2 2 39.30 13.59 2.2927 1 -3 1 40.45 8.37 2.2302 0 -3 2 40.66 1.26 2.2188 -2 1 1 41.69 1.90 2.1665 -2 2 0 41.70 18.56 2.1659 2 -2 1 42.19 4.68 2.1421 -1 -3 2 43.38 16.08 2.0859 -1 1 2 44.24 4.85 2.0471 -2 -3 1 44.39 10.05 2.0410 -2 -1 2 44.86 2.27 2.0205 1 -3 2 45.03 9.25 2.0132 0 3 1 45.34 13.09 2.0002 -2 -2 2 45.71 6.62 1.9849 0 -4 1 45.73 11.34 1.9840 2 -1 2 46.76 1.96 1.9428 -1 -4 1 47.55 2.44 1.9122 3 0 0 47.81 8.43 1.9023 3 1 0 48.17 10.45 1.8890 0 2 2 48.51 9.65 1.8766 2 -2 2 48.69 3.58 1.8702 0 4 0 48.91 2.18 1.8621 0 -2 3 49.28 4.27 1.8492 0 -4 2 49.32 4.55 1.8478 -1 3 1 49.57 1.27 1.8391 2 -3 1 49.88 1.46 1.8284 1 2 2 50.26 1.39 1.8152 1 -4 1 50.33 2.59 1.8128 -1 -4 2 50.52 1.53 1.8067 -3 1 0 50.53 1.84 1.8061 3 0 1 50.93 1.60 1.7931 -1 -2 3 50.93 5.06 1.7929 -3 0 1 51.10 20.52 1.7874 -1 -1 3 51.27 6.08 1.7819 3 2 0 51.58 4.71 1.7720 1 -1 3 52.25 15.18 1.7507 3 1 1 52.33 7.31 1.7483 0 -3 3 53.15 10.21 1.7233 2 3 1 53.16 1.50 1.7230 -2 -4 1 53.54 5.35 1.7117 1 -4 2 53.95 3.06 1.6996 1 0 3 54.24 1.22 1.6913 2 -3 2 55.17 2.43 1.6648 -3 1 1 55.72 3.37 1.6498 2 4 0 56.34 5.58 1.6330 -3 2 0 56.45 3.43 1.6302 -3 -3 1 56.65 6.42 1.6248 2 2 2 56.89 3.60 1.6186 3 2 1 57.27 4.22 1.6085 0 1 3 57.45 3.34 1.6040 0 4 1 57.92 3.18 1.5922 -2 -2 3 58.19 4.83 1.5855 0 -5 1 58.35 2.60 1.5815 -2 3 1 58.63 1.18 1.5746 0 3 2 59.12 1.93 1.5627 3 -1 2 59.18 1.91 1.5611 3 0 2 59.47 1.26 1.5543 2 -4 1 59.50 4.97 1.5536 -1 -4 3 59.90 3.86 1.5442 -3 0 2 60.20 3.73 1.5372 -2 -3 3 60.33 3.23 1.5342 -2 2 2 60.38 2.15 1.5331 2 -2 3 60.45 1.67 1.5314 -1 -5 2 61.13 2.27 1.5161 2 0 3 61.50 1.12 1.5078 -1 4 1 62.00 2.38 1.4969 -3 2 1 62.03 3.17 1.4961 0 5 0 62.04 2.55 1.4959 3 1 2 62.09 2.47 1.4949 -2 4 0 62.36 1.10 1.4891 2 -4 2 63.19 4.93 1.4714 3 -3 1 64.13 2.12 1.4521 2 -3 3 64.52 1.11 1.4444 -3 3 0 65.02 2.30 1.4345 -3 1 2 65.03 4.30 1.4342 4 0 0 65.15 2.37 1.4319 -2 -4 3 65.37 2.86 1.4276 0 2 3 65.58 1.81 1.4235 2 1 3 66.48 2.21 1.4065 -4 -1 1 66.84 4.77 1.3998 -3 -4 2 67.42 1.58 1.3891 2 5 0 67.52 1.65 1.3873 -1 -5 3 67.71 1.16 1.3837 -4 -2 1 67.84 1.44 1.3815 0 -3 4 67.88 3.28 1.3807 -4 0 1 67.95 1.72 1.3795 -1 -2 4 68.97 1.17 1.3615 1 -2 4 69.61 2.49 1.3506 1 -1 4 70.31 1.25 1.3388 -2 3 2 70.83 1.34 1.3303 1 -5 3 70.93 3.11 1.3288 1 -3 4 70.98 1.05 1.3280 3 -1 3 71.04 2.86 1.3270 2 -5 1 71.81 2.22 1.3146 -1 -6 1 72.02 1.32 1.3112 0 -4 4 72.08 3.75 1.3104 0 -6 2 73.16 1.58 1.2936 -4 -2 2 73.17 1.51 1.2935 -4 -1 2 73.32 1.16 1.2912 3 4 1 74.33 2.40 1.2762 -1 4 2 74.85 2.17 1.2685 3 -4 2 74.93 2.26 1.2674 -1 5 1 75.68 1.21 1.2567 -4 -3 2 76.41 2.70 1.2464 1 6 0 76.41 1.58 1.2464 1 3 3 77.07 1.03 1.2374 4 1 2 77.95 1.23 1.2257 4 -2 2 78.19 2.48 1.2224 -2 -4 4 78.24 2.05 1.2218 4 3 1 79.01 2.15 1.2118 2 0 4 79.78 2.01 1.2021 4 4 0 79.85 1.10 1.2013 -2 0 4 82.89 1.89 1.1647 2 -4 4 84.52 1.49 1.1463 2 -6 2 84.61 1.49 1.1453 -4 -3 3 84.63 1.28 1.1452 3 5 1 85.21 1.11 1.1389 3 4 2 86.39 1.39 1.1263 -2 1 4 86.44 1.87 1.1257 1 2 4 86.91 2.09 1.1208 -4 3 1 88.04 1.40 1.1094 -4 2 2 88.16 1.34 1.1081 1 4 3 89.01 1.10 1.0998 3 6 0 89.50 1.66 1.0950 -5 -3 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.