Mawbyite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080011 Kharisun, Taylor M R, Bevan D J M, Rae A D, Pring A Mineralogical Magazine 61 (1997) 685-691 The crystal structure of mawbyite, PbFe2(AsO4)2(OH)2 Locality: Broken Hill, New South Wales, Australia, type specimen CELL PARAMETERS: 9.0500 6.2770 7.5300 90.000 115.200 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.00000 0.00000 1.000 1.974 Fe 0.25000 0.25000 0.50000 1.000 1.026 As 0.91760 0.50000 0.21310 1.000 1.263 O 0.34210 0.50000 0.41010 1.000 1.105 O 0.31030 0.00000 0.35530 1.000 1.421 O 0.03700 0.28260 0.27010 1.000 1.421 O 0.21970 0.50000 0.01270 1.000 2.211 H 0.29730 0.50000 0.26460 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 5 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 55.90931612 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.99 16.03 6.8133 0 0 1 17.80 5.27 4.9818 1 1 0 19.15 100.00 4.6338 -1 1 1 19.99 30.53 4.4425 -2 0 1 21.71 14.66 4.0943 2 0 0 24.72 6.30 3.6015 1 1 1 25.94 4.06 3.4347 -2 0 2 26.16 9.75 3.4067 0 0 2 27.63 99.83 3.2286 -1 1 2 28.44 27.09 3.1385 0 2 0 29.86 65.43 2.9918 2 0 1 31.38 63.87 2.8506 0 2 1 32.95 60.21 2.7181 -3 1 1 35.00 3.21 2.5633 -2 2 1 35.24 35.37 2.5467 -3 1 2 35.57 35.94 2.5239 1 1 2 35.88 14.33 2.5031 3 1 0 36.06 27.01 2.4909 2 2 0 36.15 13.64 2.4849 -2 0 3 38.87 20.93 2.3169 -2 2 2 39.10 10.24 2.3040 -1 1 3 40.62 6.61 2.2213 -4 0 2 41.71 19.41 2.1655 2 2 1 42.00 3.10 2.1511 -3 1 3 43.09 1.75 2.0992 3 1 1 44.24 7.61 2.0472 4 0 0 44.70 1.83 2.0272 1 3 0 45.28 5.46 2.0027 -4 0 3 45.31 9.96 2.0015 -1 3 1 48.15 17.00 1.8900 1 1 3 48.35 6.78 1.8824 -2 0 4 49.54 8.53 1.8399 0 2 3 49.86 12.88 1.8289 -1 3 2 50.01 5.04 1.8239 -4 2 1 50.70 9.28 1.8007 2 2 2 51.81 1.23 1.7644 4 0 1 53.20 1.38 1.7217 3 1 2 53.29 14.78 1.7191 -3 3 1 53.35 10.44 1.7173 -4 0 4 53.72 8.59 1.7064 -5 1 1 53.82 9.62 1.7033 0 0 4 53.86 1.79 1.7023 2 0 3 54.34 27.68 1.6883 -4 2 3 54.87 6.11 1.6731 -3 3 2 55.11 6.50 1.6666 1 3 2 55.32 4.71 1.6606 3 3 0 57.05 15.18 1.6143 -2 2 4 57.67 3.12 1.5984 -1 3 3 58.22 6.24 1.5847 5 1 0 58.85 12.40 1.5692 0 4 0 60.16 14.85 1.5380 4 2 1 61.33 1.90 1.5117 -5 1 4 61.50 1.33 1.5078 -6 0 2 61.94 2.76 1.4981 -2 0 5 61.98 1.24 1.4974 1 1 4 62.04 6.74 1.4959 4 0 2 62.74 4.34 1.4808 -6 0 3 62.80 1.93 1.4797 -2 4 1 63.49 1.07 1.4653 2 4 0 63.57 1.97 1.4636 -6 0 1 63.75 3.79 1.4599 -3 1 5 64.79 6.79 1.4389 1 3 3 65.38 5.81 1.4273 3 1 3 65.49 1.34 1.4253 0 4 2 67.39 9.63 1.3897 2 4 1 68.91 1.21 1.3627 0 0 5 69.12 9.20 1.3591 -6 2 2 69.49 4.24 1.3527 -5 3 1 69.63 3.01 1.3504 4 2 2 70.12 4.45 1.3421 -5 1 5 70.29 2.15 1.3393 -6 2 3 71.05 3.18 1.3268 -2 4 3 73.42 3.05 1.2896 5 3 0 73.95 2.06 1.2817 -4 4 2 75.31 1.37 1.2619 2 2 4 75.42 1.15 1.2604 -7 1 3 76.16 7.80 1.2499 0 2 5 76.20 1.20 1.2494 -5 3 4 76.49 1.79 1.2454 4 4 0 77.23 1.75 1.2352 -4 4 3 77.25 1.41 1.2349 -1 5 1 77.58 4.40 1.2306 -3 1 6 78.41 1.78 1.2197 -3 3 5 78.49 3.15 1.2186 -7 1 4 79.46 2.47 1.2061 3 1 4 79.52 1.94 1.2053 -2 4 4 79.91 3.31 1.2005 3 3 3 80.68 3.52 1.1909 -1 5 2 81.42 1.09 1.1819 -5 1 6 82.00 1.77 1.1751 -1 1 6 83.39 2.36 1.1590 -3 5 1 83.44 3.63 1.1584 -4 4 4 83.82 3.52 1.1541 0 4 4 83.83 1.31 1.1541 2 0 5 84.19 2.94 1.1500 7 1 0 84.33 2.61 1.1484 -5 3 5 84.49 1.80 1.1467 -7 1 5 84.68 1.94 1.1446 -3 5 2 84.87 2.07 1.1425 1 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.