Sewardite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R060720 Roberts A C, Cooper M A, Hawthorne F C, Criddle A J, Stirling J A R The Canadian Mineralogist 40 (2002) 1191-1198 Sewardite, CaFe2(AsO4)(OH)2, the Ca-analogue of carminite, from Tsumeb, Namibia: Description and crystal structure Locality: Tsumeb, Namibia CELL PARAMETERS: 16.4350 7.4320 12.1250 90.000 90.000 90.000 SPACE GROUP: Cccm ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.00000 0.25000 1.000 1.461 Ca 0.25000 0.75000 0.00000 1.000 0.797 Fe 0.37896 0.13210 0.13404 1.000 0.442 As 0.04504 0.74470 0.00000 1.000 0.426 As 0.21374 0.00000 0.25000 1.000 0.379 O 0.01440 0.22460 0.11190 1.000 0.395 O 0.08850 0.52900 0.00000 1.000 0.474 O 0.12190 -0.11400 0.00000 1.000 0.947 O 0.15110 0.17770 0.23890 1.000 0.869 O 0.27200 -0.01500 0.13780 1.000 0.395 OH 0.17110 0.23300 0.00000 1.000 0.395 OH 0.42430 0.00000 0.25000 1.000 1.342 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 15 +/- 6 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 18.65526011 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.07 16.46 6.7718 1 1 0 14.61 1.02 6.0625 0 0 2 18.18 76.80 4.8785 2 0 2 19.65 11.58 4.5169 1 1 2 20.14 1.64 4.4098 3 1 0 24.97 4.90 3.5661 3 1 2 25.67 52.07 3.4705 1 1 3 26.32 46.64 3.3859 2 2 0 27.35 34.39 3.2611 2 2 1 28.17 100.00 3.1682 0 2 2 29.47 14.98 3.0312 0 0 4 29.72 52.81 3.0061 5 1 0 29.99 53.75 2.9795 3 1 3 30.64 70.19 2.9178 5 1 1 32.36 22.20 2.7667 1 1 4 32.49 1.38 2.7560 4 2 0 33.27 31.26 2.6932 5 1 2 34.56 19.75 2.5955 2 2 3 35.79 55.90 2.5089 4 2 2 35.95 37.97 2.4980 3 1 4 35.98 1.85 2.4962 6 0 2 36.69 1.94 2.4497 1 3 0 36.85 16.32 2.4393 4 0 4 37.28 8.20 2.4121 5 1 3 37.45 3.48 2.4011 1 3 1 39.47 6.79 2.2830 1 1 5 39.68 1.52 2.2713 1 3 2 39.94 2.12 2.2573 3 3 0 40.66 5.57 2.2191 3 3 1 40.93 4.48 2.2049 6 2 0 40.99 5.58 2.2016 7 1 1 41.63 17.38 2.1693 6 2 1 42.34 5.93 2.1345 5 1 4 42.54 11.71 2.1249 3 1 5 43.07 4.13 2.1002 7 1 2 44.08 4.93 2.0544 8 0 0 46.04 3.94 1.9715 2 2 5 46.26 2.91 1.9624 2 0 6 46.51 5.96 1.9525 5 3 1 46.92 4.21 1.9364 1 1 6 46.94 7.01 1.9356 6 2 3 47.73 2.89 1.9053 1 3 4 48.21 10.16 1.8874 5 1 5 48.40 5.64 1.8808 5 3 2 49.03 5.54 1.8580 0 4 0 49.62 2.89 1.8371 3 1 6 50.32 1.53 1.8134 4 0 6 50.41 4.38 1.8104 3 3 4 51.42 21.18 1.7769 5 3 3 51.47 12.09 1.7753 0 2 6 52.72 6.86 1.7363 2 4 2 53.13 1.90 1.7237 8 2 2 53.86 3.48 1.7020 9 1 2 53.91 11.59 1.7006 8 0 4 54.18 28.01 1.6930 4 4 0 54.73 4.90 1.6771 5 1 6 55.46 29.90 1.6567 5 3 4 56.06 2.38 1.6405 7 3 2 56.40 1.36 1.6314 6 2 5 56.46 6.97 1.6297 4 2 6 56.60 1.40 1.6262 6 0 6 56.68 8.91 1.6239 9 1 3 58.16 4.69 1.5862 10 0 2 58.24 21.58 1.5841 0 4 4 58.81 5.98 1.5702 7 3 3 59.99 6.92 1.5421 2 2 7 60.38 10.64 1.5329 5 3 5 60.48 15.56 1.5307 9 1 4 61.15 20.69 1.5156 0 0 8 61.71 6.69 1.5031 10 2 0 61.82 9.09 1.5008 5 1 7 61.85 1.20 1.5001 7 1 6 62.24 3.03 1.4916 10 2 1 62.53 8.03 1.4855 7 3 4 62.77 1.13 1.4804 1 5 0 63.26 4.31 1.4699 9 3 0 63.29 3.04 1.4694 1 5 1 63.78 2.44 1.4592 9 3 1 64.03 1.78 1.4542 11 1 1 64.50 1.21 1.4448 10 0 4 64.83 1.50 1.4381 1 5 2 65.01 1.01 1.4345 3 5 0 65.17 4.03 1.4314 9 1 5 65.32 6.10 1.4285 9 3 2 65.52 2.76 1.4246 3 5 1 66.06 1.24 1.4143 1 3 7 66.09 4.44 1.4137 5 3 6 66.35 1.62 1.4088 10 2 3 67.13 2.99 1.3943 7 3 5 67.74 4.82 1.3834 2 2 8 68.03 3.77 1.3780 8 4 0 68.08 1.42 1.3771 11 1 3 68.25 2.22 1.3742 3 3 7 68.41 1.09 1.3713 6 4 4 68.49 3.08 1.3700 7 1 7 68.51 2.72 1.3696 12 0 0 68.94 5.36 1.3621 6 2 7 69.45 6.84 1.3533 5 1 8 69.69 1.52 1.3492 2 4 6 69.85 13.77 1.3466 10 2 4 69.88 1.57 1.3460 5 5 1 70.05 1.28 1.3432 8 2 6 70.67 4.00 1.3329 9 1 6 71.36 1.45 1.3218 5 5 2 71.54 3.89 1.3189 11 1 4 72.53 1.05 1.3032 5 3 7 72.56 2.87 1.3027 7 3 6 73.79 6.50 1.2842 5 5 3 74.40 2.29 1.2751 10 0 6 75.65 2.78 1.2571 12 2 2 77.14 5.66 1.2365 5 5 4 77.67 3.09 1.2294 5 1 9 78.01 1.81 1.2248 2 6 0 78.49 2.65 1.2186 2 6 1 78.87 6.17 1.2136 0 6 2 79.44 5.35 1.2064 10 4 2 79.99 1.85 1.1995 2 0 10 80.00 2.63 1.1993 7 5 3 80.86 1.84 1.1887 9 3 6 81.38 3.63 1.1824 5 5 5 82.05 1.96 1.1744 0 4 8 82.96 1.65 1.1639 4 6 2 83.28 1.67 1.1602 7 5 4 83.94 1.24 1.1528 9 5 0 83.95 4.36 1.1527 0 2 10 83.96 3.62 1.1525 14 0 2 84.41 1.14 1.1476 9 5 1 85.24 1.01 1.1385 8 4 6 85.54 1.91 1.1352 10 2 7 85.80 1.26 1.1325 9 5 2 86.11 9.90 1.1292 4 4 8 86.41 1.04 1.1261 13 3 0 86.48 1.56 1.1254 1 5 7 86.51 2.00 1.1251 5 5 6 86.56 2.00 1.1245 5 1 10 86.92 1.49 1.1208 9 3 7 87.05 2.71 1.1194 14 2 0 87.14 1.03 1.1185 11 1 7 87.46 1.35 1.1152 7 5 5 87.52 1.26 1.1147 14 2 1 87.63 1.33 1.1135 5 3 9 87.99 4.03 1.1098 4 2 10 88.50 1.59 1.1048 3 5 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.