Beusite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R160031 Tait K T, Hawthorne F C, Wise M A The Canadian Mineralogist 51 (2013) 653-662 The crystal chemistry of the graftonite-beusite minerals Notes: Sample B3 Locality: Los Aleros, San Luis, Argentina _database_code_amcsd 0020201 CELL PARAMETERS: 8.8089 11.5580 6.1819 90.000 99.152 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Mn 0.94370 0.11994 0.83900 0.640 1.255 Ca 0.94370 0.11994 0.83900 0.360 1.255 Fe 0.71679 0.07653 0.32916 0.670 1.374 Mn 0.71679 0.07653 0.32916 0.110 1.374 Mg 0.71679 0.07653 0.32916 0.210 1.374 Zn 0.71679 0.07653 0.32916 0.010 1.374 Mn 0.36041 0.19110 0.12858 1.000 0.932 P 0.09020 0.13591 0.39340 1.000 0.711 P 0.60280 0.08865 0.80700 1.000 0.679 O 0.07710 0.06870 0.17640 1.000 1.098 O 0.47570 0.17700 0.83110 1.000 1.113 O 0.93680 0.19570 0.41540 1.000 1.587 O 0.69300 0.12760 0.62570 1.000 1.137 O 0.21260 0.23000 0.37900 1.000 1.445 O 0.72600 0.23000 0.01450 1.000 1.011 O 0.13670 0.06090 0.59700 1.000 1.476 O 0.53260 -0.03340 0.75960 1.000 0.955 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 10 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 8.249009364 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.17 2.54 8.6968 1 0 0 15.33 5.86 5.7790 0 2 0 16.42 3.00 5.3970 0 1 1 18.43 1.39 4.8132 1 2 0 20.42 1.16 4.3484 2 0 0 20.55 20.16 4.3215 1 1 1 21.17 1.81 4.1963 0 2 1 21.84 1.57 4.0699 2 1 0 22.50 6.49 3.9523 -1 2 1 24.41 19.69 3.6458 -2 1 1 25.28 64.28 3.5225 1 3 0 25.64 2.82 3.4746 2 2 0 27.38 6.09 3.2579 0 3 1 27.89 1.76 3.1995 -2 2 1 28.11 12.67 3.1749 2 1 1 28.43 2.49 3.1397 -1 3 1 29.27 19.34 3.0516 0 0 2 29.44 51.01 3.0342 -1 0 2 30.10 64.92 2.9691 1 3 1 30.29 15.37 2.9505 0 1 2 30.46 35.58 2.9348 -1 1 2 30.84 23.22 2.8989 3 0 0 30.95 24.95 2.8895 0 4 0 31.01 51.66 2.8837 2 3 0 31.20 100.00 2.8670 2 2 1 31.83 6.93 2.8118 3 1 0 32.61 5.86 2.7462 1 0 2 32.66 15.79 2.7421 1 4 0 32.95 79.20 2.7182 -3 1 1 33.07 16.27 2.7087 -2 0 2 33.20 19.18 2.6985 0 2 2 33.35 8.20 2.6864 -1 2 2 33.54 19.24 2.6719 1 1 2 33.99 9.76 2.6372 -2 1 2 34.62 2.99 2.5912 3 2 0 35.67 15.18 2.5173 -3 2 1 36.22 1.22 2.4804 1 2 2 36.64 8.79 2.4526 -2 2 2 37.21 31.70 2.4161 3 1 1 37.37 7.92 2.4066 2 4 0 37.60 20.89 2.3921 0 3 2 37.74 7.10 2.3837 -1 3 2 38.88 1.33 2.3164 3 3 0 39.00 4.32 2.3093 -2 4 1 39.32 5.00 2.2916 -3 0 2 39.46 4.94 2.2838 2 1 2 39.67 3.12 2.2718 3 2 1 39.83 8.02 2.2632 -3 3 1 40.11 1.66 2.2479 -3 1 2 40.33 17.25 2.2363 1 3 2 40.37 1.87 2.2340 1 5 0 40.72 1.13 2.2158 -2 3 2 41.54 1.02 2.1742 4 0 0 41.79 3.38 2.1617 0 5 1 41.81 2.43 2.1607 2 2 2 42.30 8.23 2.1367 4 1 0 42.43 5.23 2.1302 -3 2 2 42.52 2.26 2.1261 -1 5 1 43.11 5.01 2.0982 0 4 2 43.71 13.21 2.0708 1 5 1 44.26 5.85 2.0465 3 4 0 44.38 6.93 2.0411 2 5 0 45.12 2.22 2.0095 -3 4 1 45.26 1.68 2.0036 0 1 3 45.57 1.43 1.9906 1 4 2 45.81 21.29 1.9807 -2 5 1 46.09 10.89 1.9695 -3 3 2 46.51 6.14 1.9524 3 0 2 46.86 14.90 1.9388 -2 1 3 46.93 3.08 1.9360 -1 2 3 47.18 2.94 1.9263 0 6 0 47.21 5.34 1.9251 3 1 2 47.32 4.38 1.9210 -4 0 2 47.37 2.82 1.9190 0 2 3 48.01 7.84 1.8950 -4 1 2 48.05 1.73 1.8935 4 3 0 48.31 4.00 1.8838 -4 3 1 48.48 14.20 1.8778 3 4 1 48.92 4.50 1.8618 -2 2 3 49.58 7.87 1.8388 -1 5 2 49.63 16.01 1.8370 0 6 1 50.04 1.92 1.8229 -4 2 2 50.20 1.89 1.8174 1 2 3 50.27 1.32 1.8150 -1 6 1 50.33 6.30 1.8130 -1 3 3 50.50 1.06 1.8073 3 5 0 50.75 4.64 1.7990 0 3 3 50.85 1.48 1.7955 -3 4 2 51.28 3.81 1.7817 -3 5 1 51.69 7.92 1.7685 1 5 2 51.92 4.56 1.7612 2 6 0 52.01 14.68 1.7583 -2 5 2 52.22 2.58 1.7517 -2 3 3 52.55 6.95 1.7415 3 3 2 52.55 6.70 1.7415 4 3 1 52.62 4.07 1.7394 5 0 0 52.69 1.06 1.7373 4 4 0 52.93 9.97 1.7298 -4 4 1 52.99 4.52 1.7280 -5 1 1 53.14 4.62 1.7236 -3 2 3 53.25 9.22 1.7202 2 1 3 53.26 8.66 1.7200 5 1 0 54.35 12.25 1.6880 3 5 1 55.14 7.01 1.6657 2 2 3 55.22 6.57 1.6635 0 4 3 55.67 3.72 1.6510 4 0 2 56.04 3.64 1.6409 2 5 2 56.29 2.51 1.6344 4 1 2 56.49 1.39 1.6289 0 6 2 56.61 2.52 1.6258 -2 4 3 56.75 6.18 1.6222 1 7 0 56.92 10.96 1.6177 4 4 1 57.19 1.07 1.6106 -5 1 2 57.46 7.27 1.6039 -4 1 3 58.43 2.27 1.5794 -1 7 1 58.53 1.09 1.5770 1 6 2 58.99 4.39 1.5657 -5 2 2 59.74 4.76 1.5480 5 2 1 59.85 5.72 1.5453 -1 0 4 59.92 3.95 1.5436 2 7 0 60.26 4.91 1.5357 -1 5 3 60.45 4.64 1.5313 -3 4 3 60.70 8.22 1.5258 0 0 4 60.99 14.55 1.5192 3 6 1 61.06 1.47 1.5175 4 3 2 61.28 1.57 1.5127 0 1 4 61.86 7.88 1.4999 3 2 3 62.07 12.12 1.4954 -5 4 1 62.18 2.66 1.4928 -1 2 4 62.24 2.48 1.4916 3 5 2 62.30 2.24 1.4903 2 4 3 62.31 1.46 1.4902 5 4 0 62.65 1.75 1.4829 5 3 1 62.94 1.83 1.4768 2 7 1 63.01 1.20 1.4752 0 2 4 63.05 1.09 1.4745 1 5 3 64.13 5.95 1.4522 0 7 2 64.13 3.12 1.4521 1 1 4 64.14 4.05 1.4519 -6 1 1 64.26 1.46 1.4495 6 0 0 64.31 2.71 1.4485 -3 0 4 64.71 2.80 1.4405 3 3 3 64.86 1.66 1.4375 -4 6 1 65.00 2.22 1.4347 3 7 0 65.03 2.49 1.4342 -1 3 4 65.30 2.41 1.4289 -5 1 3 65.49 4.55 1.4252 1 8 0 65.67 1.20 1.4218 -3 7 1 65.84 4.29 1.4186 0 3 4 65.90 1.02 1.4174 -5 4 2 66.14 2.17 1.4128 -4 4 3 66.92 1.97 1.3983 -6 0 2 67.15 4.34 1.3941 -5 5 1 67.37 6.26 1.3900 2 5 3 67.47 2.00 1.3882 -6 1 2 68.42 1.74 1.3712 4 6 1 68.59 3.47 1.3681 -6 3 1 68.60 1.48 1.3680 3 4 3 68.91 2.58 1.3626 -1 4 4 69.18 2.80 1.3579 1 6 3 69.26 1.23 1.3566 6 3 0 69.30 2.82 1.3558 -3 3 4 69.47 2.49 1.3530 6 1 1 69.51 2.04 1.3523 -2 8 1 69.69 2.46 1.3492 0 4 4 70.11 1.50 1.3423 4 2 3 70.27 4.57 1.3396 -3 7 2 71.56 1.11 1.3186 -4 2 4 71.63 6.14 1.3174 -3 6 3 71.99 5.39 1.3117 -4 7 1 72.46 7.18 1.3044 -1 8 2 73.03 1.39 1.2956 6 4 0 73.08 2.27 1.2949 -3 4 4 73.17 1.44 1.2934 2 3 4 73.48 2.39 1.2888 -5 4 3 74.16 1.88 1.2786 1 8 2 75.13 2.64 1.2646 -2 7 3 75.54 2.20 1.2587 -6 4 2 76.00 1.02 1.2522 -4 7 2 76.13 4.27 1.2503 -6 2 3 76.19 1.21 1.2496 -1 9 1 76.91 1.67 1.2397 -4 6 3 77.45 1.05 1.2323 6 4 1 77.75 2.84 1.2283 6 1 2 77.79 1.70 1.2278 2 8 2 77.90 1.03 1.2263 -4 4 4 78.79 1.75 1.2146 7 2 0 79.29 1.12 1.2082 5 5 2 79.31 1.95 1.2080 6 2 2 79.52 2.08 1.2054 -1 6 4 80.87 1.95 1.1887 -3 1 5 81.54 1.09 1.1805 2 5 4 82.12 1.25 1.1737 6 5 1 82.36 1.96 1.1708 -6 4 3 82.88 2.06 1.1649 4 0 4 83.01 1.38 1.1633 1 9 2 83.18 1.13 1.1613 4 8 1 83.27 2.05 1.1604 -2 9 2 83.89 1.19 1.1534 -5 6 3 83.94 1.09 1.1528 -7 4 1 85.16 1.46 1.1394 -4 1 5 85.21 1.47 1.1388 -7 1 3 85.42 1.17 1.1365 -1 4 5 85.94 2.18 1.1310 1 3 5 86.60 1.35 1.1240 2 1 5 86.82 1.07 1.1218 4 6 3 86.82 2.01 1.1218 1 10 1 88.13 3.91 1.1084 2 2 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.