Hulsite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130016 Konnert J A, Appleman D E, Clark J R, Finger L W, Kato T, Miura Y American Mineralogist 61 (1976) 116-122 Crystal structure and cation distribution of hulsite, a tin-iron borate _database_code_amcsd 0000497 CELL PARAMETERS: 10.6866 3.0951 5.4323 90.000 94.146 90.000 SPACE GROUP: P2/m ATOM X Y Z OCCUPANCY ISO(B) Sn 0.00000 0.00000 0.00000 0.200 0.140 Fe 0.00000 0.00000 0.00000 0.270 0.140 Fe 0.50000 0.00000 0.50000 0.500 0.110 Fe 0.50000 0.00000 0.00000 0.500 0.210 Fe 0.00000 0.50000 0.50000 0.360 0.110 Mg 0.00000 0.50000 0.50000 0.160 0.110 Fe 0.27470 0.50000 0.21870 0.500 0.170 Mg 0.27470 0.50000 0.21870 0.480 0.170 B 0.24100 0.00000 0.71100 1.000 0.180 O 0.11200 0.00000 0.69700 1.000 0.420 O 0.30500 0.00000 0.50200 1.000 0.590 O 0.30500 0.00000 0.94300 1.000 0.300 O 0.09100 0.50000 0.18700 1.000 0.370 O 0.46900 0.50000 0.24600 1.000 0.320 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 2 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 11.57572001 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.30 2.79 10.6586 1 0 0 16.36 5.65 5.4181 0 0 1 16.63 3.81 5.3293 2 0 0 17.82 30.12 4.9774 -1 0 1 18.90 9.30 4.6947 1 0 1 22.54 2.79 3.9446 -2 0 1 24.26 6.43 3.6691 2 0 1 25.06 6.91 3.5529 3 0 0 28.85 3.49 3.0951 0 1 0 30.06 2.00 2.9723 1 1 0 31.08 4.61 2.8772 3 0 1 33.48 5.76 2.6765 2 1 0 33.54 1.80 2.6721 -1 0 2 33.63 49.23 2.6647 4 0 0 34.11 26.89 2.6284 -1 1 1 34.72 100.00 2.5841 1 1 1 34.75 3.74 2.5814 1 0 2 36.09 31.31 2.4887 -2 0 2 36.49 3.26 2.4627 -4 0 1 36.91 8.38 2.4350 -2 1 1 38.04 16.09 2.3658 2 1 1 38.35 6.05 2.3474 2 0 2 40.38 4.90 2.2335 -3 0 2 41.39 11.21 2.1813 -3 1 1 42.40 23.74 2.1317 5 0 0 42.92 2.38 2.1073 3 1 1 43.45 1.49 2.0829 3 0 2 44.44 57.35 2.0385 0 1 2 44.53 4.98 2.0345 -5 0 1 44.81 25.52 2.0226 -1 1 2 45.77 4.17 1.9824 1 1 2 46.02 4.63 1.9723 -4 0 2 46.92 3.96 1.9366 5 0 1 49.00 14.42 1.8592 4 1 1 49.70 1.21 1.8345 4 0 2 50.38 1.73 1.8112 -3 1 2 50.65 1.38 1.8022 -1 0 3 51.44 1.30 1.7764 6 0 0 51.96 4.41 1.7598 1 0 3 52.30 4.08 1.7494 -2 0 3 52.68 3.26 1.7374 -5 0 2 53.08 1.65 1.7254 -6 0 1 55.22 7.88 1.6633 -4 1 2 55.60 1.54 1.6530 6 0 1 56.01 19.79 1.6417 5 1 1 58.48 20.79 1.5782 4 1 2 59.03 1.42 1.5649 3 0 3 59.24 11.66 1.5599 0 1 3 59.34 14.43 1.5574 -1 1 3 59.74 1.25 1.5479 -4 0 3 59.76 28.96 1.5475 0 2 0 60.05 8.64 1.5407 6 1 0 60.19 8.19 1.5374 -6 0 2 60.83 1.89 1.5227 7 0 0 61.17 14.71 1.5150 -5 1 2 61.53 19.16 1.5070 -6 1 1 62.89 2.16 1.4778 -1 2 1 64.81 10.83 1.4386 6 0 2 65.00 6.01 1.4348 5 1 2 67.01 2.12 1.3965 3 1 3 67.68 2.10 1.3844 -4 1 3 68.10 2.79 1.3769 -6 1 2 68.70 1.07 1.3663 7 1 0 68.89 1.14 1.3629 3 2 1 69.29 3.27 1.3560 -1 0 4 69.38 8.63 1.3545 0 0 4 69.90 3.70 1.3457 -7 1 1 70.35 9.79 1.3382 4 2 0 70.71 2.33 1.3323 8 0 0 70.74 1.08 1.3317 1 0 4 70.77 2.23 1.3313 5 0 3 71.79 2.18 1.3149 -6 0 3 71.83 7.51 1.3142 -2 2 2 72.04 1.12 1.3110 4 1 3 72.87 1.80 1.2981 -5 1 3 73.26 2.87 1.2920 2 2 2 75.99 4.86 1.2523 5 2 0 76.56 1.41 1.2444 -4 0 4 77.50 1.35 1.2317 -5 2 1 77.88 1.03 1.2266 -2 1 4 78.15 1.01 1.2230 5 1 3 78.57 1.45 1.2175 -4 2 2 79.14 1.01 1.2102 -6 1 3 79.24 1.11 1.2090 5 2 1 80.65 1.30 1.1913 2 1 4 81.37 1.30 1.1826 -5 0 4 82.12 6.14 1.1737 4 0 4 83.12 1.76 1.1621 1 2 3 83.38 1.59 1.1591 -2 2 3 83.69 1.45 1.1556 -5 2 2 87.31 2.58 1.1168 -6 0 4 89.96 4.62 1.0907 -6 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.