Nifontovite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060685 Simonov M A, Egorov-Tismenko Y K, Kazanskaya E V, Belokoneva E L, Belov N V Soviet Physics - Doklady 23 (1978) 159-161 The hydrogen bonds in the crystal structure of the niphontovite Ca2/B5O3(OH)6/2*2H2O CELL PARAMETERS: 13.11761 13.44267 9.523084 90.00000 90.00000 118.4028 SPACE GROUP: B2/b X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 12.05 100.00 7.3447 1 0 1 12.11 1.87 7.3094 1 -1 1 14.99 17.57 5.9123 0 2 0 15.36 37.04 5.7693 2 0 0 15.54 21.83 5.7016 -2 2 0 16.02 60.96 5.5332 1 1 1 18.63 1.31 4.7615 0 0 2 20.10 16.79 4.4169 0 1 2 21.97 7.15 4.0459 1 2 1 22.13 19.40 4.0165 -1 3 1 22.64 20.29 3.9266 3 -1 1 22.74 1.85 3.9104 3 -2 1 23.08 61.21 3.8531 2 -1 2 23.99 22.82 3.7084 0 2 2 24.23 4.25 3.6723 2 0 2 24.35 2.97 3.6547 2 -2 2 24.96 8.33 3.5663 3 0 1 26.21 1.24 3.3993 2 2 0 26.54 1.24 3.3577 -2 4 0 27.19 1.52 3.2791 -4 2 0 28.76 4.31 3.1035 1 3 1 28.93 19.29 3.0849 -1 4 1 29.16 12.47 3.0615 3 1 1 29.19 14.76 3.0581 1 -1 3 29.41 14.35 3.0362 0 3 2 30.22 36.30 2.9561 0 4 0 30.99 3.70 2.8846 4 0 0 31.37 2.33 2.8508 -4 4 0 32.35 1.09 2.7666 2 2 2 32.62 39.00 2.7441 -2 4 2 33.16 8.42 2.7006 4 -2 2 33.95 16.26 2.6394 4 -1 2 34.13 7.07 2.6263 4 -3 2 34.65 4.88 2.5880 1 2 3 35.07 19.83 2.5579 -3 5 1 35.64 8.23 2.5183 5 -2 1 35.74 1.39 2.5115 0 4 2 36.01 3.11 2.4933 1 4 1 36.19 24.81 2.4809 -1 5 1 36.40 11.74 2.4672 4 0 2 36.69 50.66 2.4482 3 0 3 36.73 3.54 2.4459 4 -4 2 36.87 40.75 2.4365 3 -3 3 37.17 25.08 2.4176 5 -1 1 37.77 7.03 2.3808 0 0 4 38.20 11.83 2.3547 2 3 2 38.52 3.79 2.3362 -2 5 2 39.60 1.81 2.2745 -1 4 3 40.06 13.65 2.2496 -3 4 3 40.19 1.57 2.2428 5 0 1 40.24 18.67 2.2399 4 1 2 40.28 13.58 2.2379 2 -1 4 40.34 5.09 2.2346 2 4 0 40.66 18.10 2.2179 5 -5 1 40.69 2.29 2.2160 -4 5 2 40.72 3.99 2.2149 -2 6 0 40.79 6.03 2.2110 4 2 0 40.84 7.52 2.2084 0 2 4 40.99 3.36 2.2008 2 0 4 41.42 2.47 2.1791 -3 6 1 41.90 5.81 2.1550 -6 2 0 43.13 4.22 2.0963 2 1 4 43.27 4.34 2.0897 -2 3 4 43.59 4.09 2.0752 1 5 1 43.79 29.59 2.0665 -1 6 1 44.09 2.50 2.0529 3 2 3 44.43 1.53 2.0379 0 3 4 44.78 5.69 2.0229 2 4 2 44.93 1.30 2.0166 5 -2 3 45.19 1.62 2.0053 4 2 2 45.64 3.11 1.9867 6 -3 2 45.74 5.76 1.9826 -4 6 2 46.03 2.27 1.9708 0 6 0 46.22 8.05 1.9633 6 -2 2 46.42 3.93 1.9552 6 -4 2 46.55 7.45 1.9501 2 2 4 46.75 14.24 1.9421 -2 4 4 47.15 3.86 1.9265 4 -2 4 47.24 22.12 1.9231 6 0 0 47.74 3.73 1.9039 4 -1 4 47.83 10.02 1.9005 -6 6 0 47.88 3.60 1.8990 4 -3 4 48.41 7.83 1.8792 1 0 5 48.43 4.79 1.8786 1 -1 5 48.50 3.74 1.8761 6 -5 2 48.76 1.09 1.8666 5 0 3 49.11 1.77 1.8542 0 4 4 49.16 19.41 1.8522 5 -5 3 49.39 23.44 1.8444 3 3 3 49.66 7.67 1.8349 7 -3 1 49.68 10.85 1.8340 1 1 5 49.73 2.83 1.8323 -1 2 5 50.39 3.74 1.8101 -5 7 1 51.01 2.10 1.7894 4 3 2 51.14 9.60 1.7851 7 -5 1 51.29 12.77 1.7802 -2 5 4 51.49 1.84 1.7737 1 6 1 51.69 1.38 1.7673 -1 7 1 51.72 9.39 1.7666 1 5 3 51.91 1.04 1.7604 2 5 2 52.17 3.65 1.7521 1 2 5 52.28 1.26 1.7488 -2 7 2 52.46 13.21 1.7433 5 1 3 52.68 6.89 1.7365 4 1 4 53.05 1.41 1.7253 -4 5 4 53.67 1.61 1.7068 3 0 5 53.70 12.53 1.7058 7 -6 1 54.64 4.11 1.6789 -4 8 0 55.24 7.72 1.6620 3 5 1 55.48 3.87 1.6553 3 4 3 55.77 1.81 1.6474 1 3 5 55.81 1.91 1.6462 -3 8 1 55.87 4.92 1.6446 -1 4 5 55.97 1.97 1.6421 -3 7 3 56.40 3.43 1.6304 -2 8 0 56.64 2.26 1.6242 7 0 1 57.17 2.45 1.6102 6 -3 4 57.24 1.25 1.6086 7 -4 3 57.66 4.31 1.5977 6 -2 4 58.08 1.33 1.5872 0 0 6 58.14 2.90 1.5856 -8 2 0 58.24 1.06 1.5833 -4 8 2 58.60 1.63 1.5743 -8 6 0 59.54 7.86 1.5517 2 6 2 59.71 1.08 1.5477 -3 5 5 59.74 1.42 1.5471 1 7 1 59.93 1.60 1.5424 -2 8 2 60.09 1.48 1.5388 5 -2 5 60.51 5.67 1.5290 2 -2 6 61.14 1.05 1.5149 5 -1 5 61.96 1.03 1.4968 -7 8 1 63.13 1.03 1.4718 3 6 1 63.27 2.39 1.4689 5 0 5 64.71 1.17 1.4396 4 5 2 64.88 1.19 1.4362 8 -7 2 65.44 1.59 1.4254 -8 8 0 65.47 3.96 1.4248 -4 9 2 65.75 2.33 1.4193 4 -1 6 65.93 2.99 1.4159 -1 6 5 66.42 1.49 1.4066 5 1 5 66.86 1.13 1.3984 0 4 6 67.66 2.91 1.3838 2 7 2 67.69 2.16 1.3833 4 4 4 67.68 1.40 1.3834 9 -2 1 69.58 5.37 1.3503 8 -4 4 69.88 1.89 1.3453 -5 9 3 69.99 2.02 1.3433 8 -3 4 70.16 1.73 1.3405 -4 10 0 70.20 3.65 1.3399 8 -5 4 70.54 1.70 1.3342 5 2 5 70.69 1.54 1.3318 9 -1 1 71.12 1.84 1.3247 -5 7 5 72.66 1.94 1.3005 -1 3 7 73.72 1.31 1.2844 -7 10 1 73.84 1.81 1.2826 3 0 7 73.87 2.49 1.2821 7 -6 5 74.33 3.02 1.2753 4 5 4 75.65 1.43 1.2562 -3 8 5 75.69 1.38 1.2557 0 8 4 75.70 1.29 1.2556 10 -6 2 77.11 2.64 1.2361 0 6 6 77.87 2.51 1.2259 5 6 1 78.01 2.06 1.2241 6 0 6 79.03 1.59 1.2108 -3 5 7 79.04 1.41 1.2107 -8 10 2 79.43 1.48 1.2057 5 -3 7 79.53 1.76 1.2045 9 1 1 79.58 1.14 1.2037 1 4 7 80.24 1.06 1.1955 7 1 5 80.95 1.05 1.1868 4 7 2 81.15 2.43 1.1844 0 1 8 81.46 2.13 1.1807 5 4 5 81.74 1.53 1.1773 4 6 4 82.72 1.22 1.1658 2 0 8 84.17 2.03 1.1495 2 1 8 85.28 2.19 1.1373 -2 8 6 85.67 1.40 1.1331 6 6 0 85.68 2.33 1.1330 2 9 2 85.90 1.45 1.1307 -2 10 4 86.75 1.53 1.1218 8 -2 6 86.79 1.06 1.1213 -9 10 3 87.14 1.79 1.1177 8 -6 6 88.35 1.18 1.1055 8 4 0 89.81 2.33 1.0912 9 -8 5 89.81 2.33 1.0912 9 -8 5 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.