Hydroromarchite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090060 Abrahams I, Grimes S M, Johnston S R, Knowles J C Acta Crystallographica C52 (1996) 286-288 Tin(II) oxyhydroxide by X-ray powder diffraction Locality: synthetic CELL PARAMETERS: 7.9556 7.9556 9.1410 90.000 90.000 90.000 SPACE GROUP: P-42_1c ATOM X Y Z OCCUPANCY ISO(B) Sn 0.12180 0.29170 -0.00380 1.000 2.132 Sn 0.00000 0.00000 0.27570 1.000 2.527 O -0.09740 0.19450 0.12770 1.000 1.500 OH 0.26060 0.09000 0.17300 1.000 1.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 53.34897105 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.76 43.64 6.0011 1 0 1 15.75 38.18 5.6255 1 1 0 19.42 18.04 4.5705 0 0 2 25.03 59.25 3.5579 2 1 0 25.10 85.92 3.5473 1 1 2 26.89 68.78 3.3156 2 1 1 29.78 91.82 3.0005 2 0 2 31.44 12.39 2.8454 1 0 3 31.81 6.65 2.8127 2 2 0 31.88 100.00 2.8075 2 1 2 35.69 45.63 2.5158 3 1 0 37.06 32.52 2.4256 3 1 1 37.55 13.94 2.3955 2 2 2 39.43 19.24 2.2852 0 0 4 40.95 1.62 2.2040 3 1 2 42.13 4.63 2.1449 3 2 1 42.71 1.85 2.1172 1 1 4 45.34 3.03 2.0004 3 0 3 45.66 2.56 1.9870 3 2 2 46.83 35.00 1.9400 3 1 3 47.10 4.24 1.9295 4 1 0 47.27 29.25 1.9228 2 1 4 48.20 3.53 1.8879 4 1 1 50.01 12.28 1.8237 4 0 2 51.11 11.81 1.7871 3 2 3 51.36 23.02 1.7789 4 2 0 51.40 2.40 1.7776 4 1 2 51.53 3.58 1.7736 2 2 4 52.40 10.06 1.7462 4 2 1 52.77 16.73 1.7348 3 3 2 54.23 20.95 1.6916 3 1 4 56.45 7.15 1.6302 4 1 3 56.60 13.74 1.6261 2 1 5 57.96 1.48 1.5911 4 3 0 58.11 1.67 1.5873 3 2 4 58.92 12.37 1.5676 5 0 1 58.92 8.50 1.5676 4 3 1 60.17 3.85 1.5380 5 1 1 60.24 3.99 1.5363 4 2 3 60.80 2.03 1.5235 0 0 6 61.73 3.22 1.5027 4 3 2 62.83 6.87 1.4789 3 1 5 62.95 9.56 1.4766 5 1 2 63.24 2.04 1.4705 1 1 6 63.82 1.78 1.4584 5 2 1 65.62 4.24 1.4227 2 0 6 66.27 1.54 1.4104 4 3 3 66.27 2.63 1.4104 5 0 3 66.62 9.12 1.4037 4 2 4 66.80 5.58 1.4005 2 1 6 67.44 2.45 1.3887 5 1 3 68.81 2.06 1.3644 5 3 0 69.99 5.34 1.3442 4 4 2 70.89 2.42 1.3293 5 2 3 72.27 1.80 1.3074 5 3 2 72.37 1.28 1.3058 4 3 4 73.49 2.72 1.2886 1 0 7 74.41 1.57 1.2750 4 2 5 75.59 1.71 1.2579 6 2 0 76.43 5.58 1.2461 6 2 1 78.94 1.36 1.2128 6 2 2 79.93 5.96 1.2002 5 0 5 79.93 6.00 1.2002 4 3 5 81.02 1.04 1.1868 5 1 5 81.09 1.89 1.1860 6 3 0 81.38 1.90 1.1824 3 3 6 82.31 1.06 1.1715 5 3 4 83.06 3.45 1.1627 6 2 3 83.39 1.82 1.1590 3 1 7 84.15 2.13 1.1505 5 4 3 84.38 3.48 1.1479 6 3 2 86.24 1.28 1.1278 7 0 1 86.50 1.49 1.1251 7 1 0 86.50 1.87 1.1251 5 5 0 86.63 2.93 1.1238 3 2 7 87.32 1.00 1.1167 7 1 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.