Larderellite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130392 Merlino S, Sartori F Acta Crystallographica B25 (1969) 2264-2270 The crystal structure of lardellite, NH4B5O7(OH)2*H2O Locality: synthetic _database_code_amcsd 0009364 CELL PARAMETERS: 9.4650 7.6250 11.6470 90.000 96.940 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) N 0.32190 0.43930 0.26580 1.000 1.930 B 0.56560 0.30910 0.07100 1.000 1.310 B 0.74870 0.51110 0.04480 1.000 1.700 B 0.70000 0.45330 0.24310 1.000 0.920 B 0.63140 0.59350 0.41920 1.000 1.250 B 0.82460 0.39090 0.44180 1.000 0.820 O 0.45620 0.20120 0.02190 1.000 1.070 O 0.63690 0.40370 -0.00360 1.000 1.270 Oh 0.82150 0.59420 -0.03570 1.000 1.260 O 0.59970 0.32320 0.18790 1.000 1.340 O 0.77360 0.54260 0.15830 1.000 1.070 O 0.62050 0.57790 0.30470 1.000 1.010 O 0.80690 0.36140 0.32750 1.000 1.250 O 0.73500 0.50050 0.49260 1.000 1.220 Oh 0.93220 0.30670 0.50880 1.000 1.410 Ow 0.95520 0.11280 0.22950 1.000 1.900 H 0.05600 0.08900 0.26000 1.000 5.000 H 0.89900 0.20800 0.26700 1.000 5.000 H 0.94100 0.33800 0.59700 1.000 5.000 H 0.91100 0.67100 -0.02600 1.000 5.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 7 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 3.292057454 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.41 40.51 9.3957 1 0 0 14.96 19.44 5.9206 1 1 0 15.33 19.23 5.7808 0 0 2 16.29 77.39 5.4406 -1 1 1 17.34 44.65 5.1142 1 1 1 18.89 20.49 4.6978 2 0 0 18.97 2.12 4.6777 1 0 2 19.27 14.50 4.6066 0 1 2 20.64 20.74 4.3032 -1 1 2 22.23 6.32 3.9997 2 1 0 22.30 8.78 3.9872 1 1 2 22.77 1.38 3.9061 -2 1 1 23.33 14.97 3.8125 0 2 0 24.28 12.66 3.6652 2 1 1 25.75 8.75 3.4599 -2 1 2 25.90 1.24 3.4395 0 1 3 26.04 10.51 3.4223 -1 2 1 26.62 3.65 3.3486 -1 1 3 28.04 2.78 3.1827 0 2 2 28.41 11.41 3.1414 2 1 2 28.50 1.71 3.1319 3 0 0 30.19 59.18 2.9603 2 2 0 30.60 100.00 2.9218 -2 2 1 30.78 5.52 2.9046 -3 0 2 30.87 7.18 2.8970 3 1 0 30.94 40.57 2.8904 0 0 4 31.26 2.17 2.8615 -1 0 4 31.77 18.12 2.8167 2 2 1 32.70 2.34 2.7389 3 1 1 32.93 19.61 2.7203 -2 2 2 33.00 2.21 2.7144 -3 1 2 33.15 1.53 2.7027 0 1 4 33.52 1.99 2.6734 1 0 4 33.63 6.51 2.6652 -1 2 3 34.17 4.79 2.6241 3 0 2 35.09 1.87 2.5571 2 2 2 35.23 3.97 2.5472 1 2 3 36.19 1.36 2.4824 0 3 1 36.20 1.23 2.4813 3 1 2 36.63 3.00 2.4535 1 3 0 37.15 3.70 2.4200 3 2 0 37.22 3.09 2.4156 -1 3 1 38.72 11.77 2.3256 3 2 1 38.98 2.25 2.3105 -3 2 2 39.80 3.48 2.2648 -3 0 4 40.02 2.82 2.2529 -4 1 1 40.17 1.10 2.2448 4 1 0 40.34 1.16 2.2360 2 1 4 40.78 1.37 2.2128 0 1 5 41.24 1.47 2.1889 1 2 4 41.59 3.14 2.1717 2 3 1 41.79 4.29 2.1616 3 2 2 41.87 6.82 2.1575 4 1 1 42.20 4.86 2.1415 -3 2 3 42.51 5.08 2.1265 -2 3 2 43.07 2.57 2.1004 1 1 5 43.08 1.64 2.0999 -1 3 3 43.29 1.02 2.0898 4 0 2 44.27 11.71 2.0458 2 3 2 44.29 8.23 2.0452 -4 1 3 44.98 6.72 2.0155 4 1 2 45.19 1.42 2.0067 3 0 4 45.50 8.80 1.9936 2 2 4 45.73 5.94 1.9838 -2 3 3 46.81 3.78 1.9406 3 1 4 47.17 3.67 1.9269 0 0 6 47.31 2.49 1.9213 3 3 1 47.54 1.92 1.9128 -3 3 2 47.71 1.11 1.9062 0 4 0 48.05 16.84 1.8936 -2 2 5 48.22 5.17 1.8872 2 3 3 48.38 7.00 1.8813 -4 1 4 48.39 1.64 1.8809 0 4 1 48.44 2.41 1.8791 5 0 0 48.74 3.21 1.8682 0 1 6 49.14 2.52 1.8542 -5 0 2 49.28 1.42 1.8491 4 1 3 50.13 4.54 1.8197 -2 3 4 50.31 1.11 1.8135 -3 3 3 50.94 1.19 1.7926 1 1 6 51.46 3.08 1.7757 3 2 4 51.79 2.41 1.7653 1 4 2 52.00 1.01 1.7585 2 2 5 53.51 1.23 1.7125 -4 1 5 54.12 1.10 1.6947 -4 3 2 54.47 1.74 1.6845 4 3 1 54.83 1.05 1.6743 -2 2 6 55.46 1.24 1.6569 1 3 5 56.71 1.31 1.6232 -1 1 7 57.23 1.06 1.6097 -5 2 3 58.45 1.33 1.5790 5 1 3 58.69 1.04 1.5730 5 2 2 59.11 1.14 1.5629 2 3 5 61.61 1.96 1.5053 1 5 0 61.72 1.05 1.5029 -2 3 6 62.46 1.01 1.4869 -6 1 3 62.67 3.19 1.4825 -4 4 1 62.78 1.70 1.4802 4 4 0 63.22 1.59 1.4709 0 4 5 63.70 2.22 1.4609 -4 4 2 64.02 1.04 1.4543 4 4 1 65.87 4.54 1.4180 0 5 3 69.40 1.36 1.3542 -6 1 5 70.09 2.38 1.3426 -5 4 1 70.35 1.09 1.3382 5 4 0 78.75 1.06 1.2152 -6 4 1 86.95 1.52 1.1204 0 5 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.