Reinerite Diffraction data computed using the structre from the paper listed below, along with the cell parameters refined from single crystal data of R080132 Ghose S, Boving P, LaChapelle W A, Wan C American Mineralogist 62 (1977) 1129-1134 Reinerite, Zn3(AsO3)2: an arsenite with a novel type of Zn-tetrahedral double chain CELL PARAMETERS: 6.0950 14.4210 7.8190 90.000 90.000 90.000 SPACE GROUP: Pbam ATOM X Y Z OCCUPANCY ISO(B) Zn 0.00000 0.50000 0.31453 1.000 1.100 Zn 0.56494 0.77908 0.78434 1.000 1.036 As 0.91312 0.87436 0.50000 1.000 0.944 As 0.22305 0.90126 0.00000 1.000 0.973 O 0.33040 0.06080 0.50000 1.000 1.346 O 0.33490 0.28070 0.00000 1.000 1.166 O 0.15190 0.19970 0.32620 1.000 1.456 O 0.09040 0.39650 0.17360 1.000 1.323 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 13 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 38.64607000 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.28 18.45 7.2105 0 2 0 15.79 21.69 5.6142 1 1 0 16.73 9.07 5.3007 0 2 1 19.46 2.11 4.5604 1 1 1 22.23 100.00 3.9997 1 2 1 23.57 10.03 3.7744 1 3 0 24.69 1.00 3.6052 0 4 0 25.92 18.08 3.4368 0 2 2 26.22 31.13 3.3991 1 3 1 27.81 48.39 3.2083 1 1 2 28.77 11.76 3.1030 1 4 0 29.31 8.35 3.0475 2 0 0 29.85 4.63 2.9937 1 2 2 29.97 1.75 2.9817 2 1 0 31.01 5.40 2.8842 1 4 1 31.51 10.58 2.8395 2 0 1 32.13 18.87 2.7860 2 1 1 32.99 8.32 2.7154 1 3 2 33.82 55.28 2.6503 0 4 2 33.93 5.70 2.6420 2 2 1 34.40 24.36 2.6070 1 5 0 34.86 10.97 2.5738 2 3 0 36.32 2.91 2.4732 1 5 1 36.66 8.00 2.4511 0 2 3 36.99 1.16 2.4305 1 4 2 37.42 22.60 2.4035 2 0 2 37.42 2.30 2.4035 0 6 0 37.95 7.65 2.3708 2 1 2 38.07 3.18 2.3640 1 1 3 38.69 11.57 2.3274 2 4 0 39.21 7.55 2.2974 0 6 1 39.63 11.89 2.2741 1 2 3 40.34 3.53 2.2359 1 6 0 40.44 4.97 2.2307 2 4 1 41.64 4.05 2.1690 1 5 2 42.03 3.35 2.1498 2 3 2 42.03 3.58 2.1498 1 6 1 42.13 6.71 2.1447 1 3 3 42.81 1.67 2.1122 0 4 3 43.19 7.36 2.0948 2 5 0 44.24 1.38 2.0475 0 6 2 44.79 1.02 2.0234 2 5 1 45.06 4.04 2.0118 3 1 0 45.35 5.48 1.9999 2 4 2 45.45 1.18 1.9958 1 4 3 45.81 4.88 1.9807 2 0 3 46.44 8.47 1.9555 3 2 0 46.45 9.98 1.9547 0 0 4 46.53 2.34 1.9517 1 7 0 46.81 2.58 1.9409 1 6 2 47.61 7.49 1.9100 2 2 3 48.22 1.95 1.8872 2 6 0 48.24 1.10 1.8867 0 2 4 49.37 1.05 1.8461 1 1 4 49.79 10.23 1.8314 2 3 3 50.64 2.98 1.8026 0 8 0 51.64 1.09 1.7700 3 4 0 51.74 1.09 1.7669 0 6 3 52.31 5.15 1.7489 3 2 2 52.73 5.78 1.7360 2 4 3 53.95 1.74 1.6995 2 6 2 54.35 2.59 1.6879 1 8 1 55.07 1.61 1.6675 2 7 1 55.31 2.17 1.6610 3 5 0 56.27 1.20 1.6348 2 1 4 56.35 2.82 1.6328 2 5 3 56.65 1.04 1.6247 3 5 1 57.12 5.42 1.6124 3 4 2 57.45 2.39 1.6041 2 2 4 57.90 3.77 1.5926 3 1 3 58.37 5.52 1.5810 1 8 2 59.07 4.47 1.5640 1 5 4 59.14 13.42 1.5622 1 7 3 59.37 1.63 1.5567 2 3 4 59.59 1.83 1.5515 2 8 0 59.67 2.83 1.5497 1 9 0 60.57 3.94 1.5287 3 5 2 60.58 6.13 1.5286 2 6 3 60.59 3.04 1.5283 0 2 5 60.87 1.26 1.5219 3 6 1 60.87 1.90 1.5218 2 8 1 61.11 1.73 1.5165 0 6 4 62.28 1.42 1.4908 4 2 0 62.67 3.50 1.4824 1 2 5 63.54 2.28 1.4642 3 4 3 64.11 5.90 1.4525 4 3 0 64.50 6.38 1.4447 1 3 5 64.63 11.24 1.4422 3 6 2 64.63 2.50 1.4421 0 10 0 64.71 11.57 1.4406 1 9 2 64.71 1.75 1.4406 1 8 3 65.29 2.22 1.4292 2 5 4 65.36 1.83 1.4278 2 7 3 66.14 8.56 1.4129 4 1 2 67.65 4.66 1.3849 2 1 5 67.78 5.50 1.3825 3 2 4 67.84 2.36 1.3815 4 4 1 67.86 2.81 1.3811 1 7 4 68.71 3.96 1.3661 2 2 5 69.74 2.39 1.3484 3 8 0 69.81 1.02 1.3473 4 5 0 70.65 1.02 1.3332 2 9 2 70.93 1.05 1.3288 3 8 1 71.76 2.06 1.3154 4 0 3 72.05 2.71 1.3108 0 6 5 72.54 1.93 1.3032 0 0 6 72.87 1.02 1.2980 2 4 5 73.13 1.48 1.2941 4 2 3 73.68 1.11 1.2858 2 10 1 73.97 1.35 1.2815 1 6 5 74.83 1.08 1.2688 4 3 3 75.11 1.13 1.2648 1 11 1 75.32 1.12 1.2618 0 10 3 75.58 1.76 1.2581 3 9 0 77.13 2.21 1.2366 2 10 2 77.49 1.83 1.2318 1 3 6 78.20 1.04 1.2224 4 6 2 78.35 1.29 1.2204 1 7 5 79.93 1.98 1.2003 5 1 1 81.92 1.68 1.1760 3 10 0 82.52 1.06 1.1690 4 7 2 82.79 2.27 1.1659 4 3 4 87.98 1.68 1.1099 3 8 4 88.84 1.55 1.1014 3 6 5 89.88 1.37 1.0914 1 13 0 89.89 1.35 1.0913 0 12 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.