Whitmoreite Moore P B, Kampf A R, Irving A J American Mineralogist 59 (1974) 900-905 Whitmoreite, FeFe2(OH)2(H2O)4[PO4]2, a new species: Its description and atomic arrangement _database_code_amcsd 0000411 CELL PARAMETERS: 10.0000 9.7300 5.4710 90.000 93.800 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 531.158 Density (g/cm3): 2.889 MAX. ABS. INTENSITY / VOLUME**2: 13.81269079 RIR: 1.557 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.86 100.00 9.9780 1 0 0 2 12.71 61.60 6.9662 1 1 0 4 17.78 36.91 4.9890 2 0 0 2 18.24 18.53 4.8650 0 2 0 2 18.64 10.30 4.7609 0 1 1 4 20.00 18.41 4.4394 2 1 0 4 20.20 7.12 4.3967 -1 1 1 4 20.31 8.89 4.3729 1 2 0 4 21.14 45.97 4.2034 1 1 1 4 24.51 1.65 3.6320 0 2 1 4 25.57 2.54 3.4831 2 2 0 4 25.73 20.31 3.4623 -1 2 1 4 26.48 5.73 3.3656 1 2 1 4 26.62 2.39 3.3489 2 1 1 4 26.80 1.05 3.3260 3 0 0 2 28.95 3.26 3.0845 1 3 0 4 29.78 18.59 2.9999 -2 2 1 4 31.09 44.04 2.8766 2 2 1 4 31.92 46.38 2.8037 -3 1 1 4 32.10 9.56 2.7883 0 3 1 4 32.61 4.35 2.7457 3 2 0 4 32.81 6.87 2.7295 0 0 2 2 32.94 17.27 2.7192 2 3 0 4 33.06 5.45 2.7093 -1 3 1 4 33.46 2.20 2.6783 -1 0 2 2 33.67 4.16 2.6622 1 3 1 4 33.75 1.48 2.6554 3 1 1 4 34.12 2.09 2.6280 0 1 2 4 34.64 3.89 2.5894 1 0 2 2 34.74 16.63 2.5823 -1 1 2 4 35.89 2.00 2.5023 1 1 2 4 36.38 1.39 2.4698 -2 3 1 4 36.46 3.15 2.4643 -2 0 2 2 37.21 2.19 2.4164 4 1 0 4 37.46 6.57 2.4007 3 2 1 4 37.48 4.23 2.3996 2 3 1 4 37.65 1.21 2.3889 -2 1 2 4 38.08 2.98 2.3633 1 4 0 4 38.36 3.22 2.3463 -1 2 2 4 39.77 2.07 2.2663 2 1 2 4 40.60 12.92 2.2219 0 4 1 4 40.65 1.86 2.2197 4 2 0 4 41.38 1.37 2.1821 -3 0 2 2 41.55 3.68 2.1733 -3 3 1 4 41.84 4.20 2.1589 4 1 1 4 43.03 5.52 2.1020 3 3 1 4 43.04 11.85 2.1017 2 2 2 4 43.33 2.31 2.0884 0 3 2 4 43.84 1.76 2.0652 -1 3 2 4 44.30 1.30 2.0445 3 0 2 2 44.79 2.25 2.0236 1 3 2 4 44.98 12.22 2.0152 4 2 1 4 45.56 9.65 1.9910 -3 2 2 4 45.89 1.04 1.9773 4 3 0 4 46.24 7.68 1.9634 3 4 0 4 46.27 2.15 1.9622 -2 3 2 4 46.45 2.80 1.9549 5 1 0 4 47.61 1.37 1.9100 1 5 0 4 47.73 1.78 1.9053 -4 0 2 2 48.11 4.21 1.8912 -4 3 1 4 48.43 2.47 1.8796 -5 1 1 4 49.36 1.37 1.8463 5 2 0 4 49.74 2.57 1.8330 0 5 1 4 50.24 3.66 1.8160 0 4 2 4 51.06 1.49 1.7886 0 1 3 4 51.25 2.32 1.7825 -5 2 1 4 52.14 1.00 1.7542 4 1 2 4 53.27 3.60 1.7197 -2 1 3 4 53.65 2.99 1.7083 2 5 1 4 53.95 1.14 1.6996 5 3 0 4 54.53 5.23 1.6828 2 4 2 4 54.64 2.34 1.6796 3 5 0 4 54.83 2.77 1.6745 4 2 2 4 55.71 4.63 1.6499 2 1 3 4 56.06 3.86 1.6405 -5 1 2 4 56.67 1.67 1.6243 -3 4 2 4 57.71 1.13 1.5974 5 3 1 4 58.35 4.25 1.5815 -1 3 3 4 58.64 1.01 1.5743 -1 5 2 4 58.67 1.26 1.5736 6 2 0 4 59.12 1.00 1.5628 4 3 2 4 59.13 3.04 1.5624 5 0 2 2 59.38 1.35 1.5565 -3 2 3 4 59.41 3.41 1.5557 1 5 2 4 59.51 1.40 1.5534 1 3 3 4 59.96 2.14 1.5428 5 4 0 4 59.97 1.16 1.5425 6 1 1 4 59.98 3.10 1.5422 2 6 0 4 60.32 2.59 1.5343 4 5 0 4 60.44 2.15 1.5316 1 6 1 4 60.63 1.94 1.5272 -2 5 2 4 62.14 1.89 1.4937 2 5 2 4 62.17 3.16 1.4930 -4 5 1 4 63.47 2.67 1.4656 -3 3 3 4 63.55 3.28 1.4639 -6 0 2 2 64.12 2.25 1.4523 -3 5 2 4 64.24 2.05 1.4500 -6 3 1 4 64.25 1.86 1.4498 -4 2 3 4 64.82 1.13 1.4383 4 4 2 4 65.48 1.17 1.4254 7 0 0 2 66.27 1.40 1.4104 7 1 0 4 66.76 1.62 1.4011 3 3 3 4 67.19 2.23 1.3932 5 5 0 4 67.52 1.44 1.3872 -1 6 2 4 67.92 2.64 1.3801 6 0 2 2 68.59 2.13 1.3682 4 2 3 4 68.81 3.51 1.3643 -1 0 4 2 70.37 2.51 1.3378 -1 7 1 4 70.38 1.03 1.3377 -5 2 3 4 70.99 1.72 1.3277 1 1 4 4 71.87 1.10 1.3137 -1 2 4 4 72.79 1.08 1.2993 -7 0 2 2 75.55 1.22 1.2585 5 6 0 4 88.52 1.41 1.1046 0 7 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.