Tsumgallite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern Yang H, Lu R, Downs R T, Costin G Acta Crystallographica E62 (2006) i250-i252 CELL PARAMETERS: 4.512247 9.783819 2.970119 90.00000 90.00000 90.00000 SPACE GROUP: Pbnm ATOM X Y Z OCCUPANCY ISO(B) Ga 0.04892 0.85366 0.25000 1.000 0.464 O 0.70569 0.19914 0.25000 1.000 0.565 Oh 0.19871 0.05298 0.25000 1.000 0.583 H 0.37813 0.08170 0.25000 1.000 1.533 X-RAY WAVELENGTH: 0.710730 BOUNDS ON TWO THETA: 8.0 45.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 10 +/- 3 MAX. ABS. INTENSITY / VOLUME**2: 283.6740405 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.17 13.00 4.8919 0 2 0 9.78 100.00 4.0975 1 1 0 12.13 11.93 3.3168 1 2 0 15.27 55.31 2.6432 1 3 0 15.91 35.79 2.5388 0 2 1 16.29 7.22 2.4809 1 0 1 16.53 20.05 2.4460 0 4 0 16.81 86.87 2.4048 1 1 1 17.94 6.05 2.2561 2 0 0 18.30 6.84 2.2126 1 2 1 18.42 5.33 2.1984 2 1 0 18.84 15.34 2.1503 1 4 0 19.79 1.82 2.0487 2 2 0 20.55 6.06 1.9745 1 3 1 21.50 9.35 1.8881 0 4 1 21.89 1.14 1.8554 2 3 0 23.01 12.87 1.7670 2 1 1 23.35 3.97 1.7418 1 4 1 24.13 45.62 1.6864 2 2 1 24.55 13.91 1.6584 2 4 0 24.98 5.19 1.6306 0 6 0 25.90 11.73 1.5736 2 3 1 26.54 35.19 1.5364 1 5 1 27.45 1.19 1.4866 3 1 0 27.48 14.49 1.4851 0 0 2 27.61 6.93 1.4782 2 5 0 28.21 5.15 1.4480 2 4 1 28.41 7.96 1.4377 3 2 0 28.58 14.06 1.4294 0 6 1 29.28 9.33 1.3962 1 1 2 29.95 6.34 1.3658 3 3 0 30.19 1.84 1.3554 1 2 2 30.50 7.32 1.3418 3 0 1 30.66 9.54 1.3351 1 7 0 30.80 3.46 1.3294 3 1 1 30.98 3.64 1.3216 2 6 0 31.66 2.61 1.2940 3 2 1 31.65 12.74 1.2947 1 3 2 32.30 5.32 1.2694 0 4 2 33.06 2.61 1.2409 3 3 1 33.08 2.46 1.2405 2 0 2 33.35 1.91 1.2306 2 1 2 33.59 3.11 1.2220 1 4 2 34.01 1.52 1.2074 2 6 1 34.94 6.01 1.1764 3 4 1 36.40 4.46 1.1309 0 8 1 36.75 4.63 1.1206 4 1 0 37.23 2.28 1.1066 3 5 1 37.25 5.99 1.1063 2 4 2 37.27 1.65 1.1056 3 6 0 37.36 2.00 1.1032 2 7 1 37.54 2.44 1.0980 0 6 2 38.37 1.64 1.0752 2 8 0 39.39 1.25 1.0485 4 1 1 39.42 3.47 1.0477 2 5 2 39.88 3.14 1.0361 3 6 1 40.01 4.34 1.0329 3 2 2 40.38 1.27 1.0239 3 7 0 40.92 3.38 1.0110 2 8 1 41.17 3.43 1.0053 3 3 2 41.25 4.71 1.0034 4 3 1 41.58 4.31 0.9957 1 9 1 41.71 5.62 0.9929 1 7 2 41.96 2.17 0.9873 2 6 2 42.31 1.01 0.9793 2 9 0 42.36 1.38 0.9784 0 10 0 42.41 1.88 0.9773 4 5 0 42.73 1.74 0.9704 0 2 3 43.10 3.34 0.9623 1 1 3 43.75 1.62 0.9489 3 8 0 43.75 1.62 0.9489 3 8 0 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.