H3 Mo O7 P Biot C, Leclaire A, Borel M, Raveau B Zeitschrift fur Kristallographie 212 (1997) 792-794 Revised crystal structure of molybdenum hydroxymonophosphate, (MoO2).(H2O).(P(O3OH)) _cod_database_code 1001833 _database_code_amcsd 0011073 CELL PARAMETERS: 6.7580 6.3390 7.0540 90.000 110.130 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 283.727 Density (g/cm3): 2.796 MAX. ABS. INTENSITY / VOLUME**2: 33.41580512 RIR: 3.891 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.37 8.35 6.6231 0 0 1 2 13.96 16.28 6.3452 1 0 0 2 15.67 100.00 5.6563 -1 0 1 2 19.38 23.34 4.5795 0 1 1 4 19.80 18.15 4.4845 1 1 0 4 21.05 24.99 4.2204 -1 1 1 4 22.50 33.61 3.9524 1 0 1 2 25.71 3.92 3.4654 -1 0 2 2 26.58 14.17 3.3539 1 1 1 4 26.65 17.72 3.3447 -2 0 1 2 26.92 10.67 3.3116 0 0 2 2 28.13 14.32 3.1726 2 0 0 2 28.15 42.50 3.1695 0 2 0 2 30.21 4.82 2.9582 -2 1 1 4 30.45 25.79 2.9352 0 1 2 4 31.64 1.68 2.8281 -2 0 2 2 32.38 14.68 2.7650 -1 2 1 4 34.73 2.01 2.5828 -2 1 2 4 36.33 5.31 2.4727 1 2 1 4 37.48 2.79 2.3996 1 1 2 4 39.16 3.15 2.3006 -2 2 1 4 39.35 1.78 2.2897 0 2 2 4 40.22 5.01 2.2423 2 2 0 4 40.88 7.02 2.2077 0 0 3 2 40.94 4.72 2.2045 -1 1 3 4 40.99 2.76 2.2019 -2 0 3 2 42.04 12.60 2.1494 -3 0 2 2 42.61 5.49 2.1220 -3 1 1 4 42.75 2.60 2.1151 3 0 0 2 42.86 1.50 2.1102 -2 2 2 4 43.40 1.48 2.0849 0 1 3 4 45.03 5.93 2.0130 0 3 1 4 45.19 4.84 2.0063 3 1 0 4 45.23 5.20 2.0048 1 3 0 4 45.84 5.19 1.9794 -1 3 1 4 45.92 2.01 1.9762 2 0 2 2 48.24 4.14 1.8867 2 1 2 4 48.88 1.78 1.8634 1 3 1 4 49.55 2.26 1.8397 3 0 1 2 50.31 7.60 1.8136 1 1 3 4 50.37 2.98 1.8116 0 2 3 4 50.50 1.45 1.8072 -3 1 3 4 51.13 1.39 1.7864 -2 3 1 4 51.29 7.21 1.7813 0 3 2 4 51.36 7.15 1.7789 -3 2 2 4 52.06 2.05 1.7566 -1 0 4 2 54.19 2.21 1.6927 -2 3 2 4 54.66 3.84 1.6791 -4 0 1 2 54.93 2.34 1.6714 -2 1 4 4 56.16 2.27 1.6379 1 3 2 4 56.66 1.14 1.6246 2 3 1 4 56.95 1.16 1.6170 -4 1 2 4 57.53 4.74 1.6020 0 1 4 4 57.96 1.55 1.5911 3 2 1 4 58.22 4.76 1.5848 0 4 0 2 58.75 3.38 1.5716 -1 3 3 4 58.84 1.64 1.5693 -4 0 3 2 59.68 3.69 1.5493 -3 1 4 4 60.04 3.05 1.5409 -3 3 1 4 60.69 2.69 1.5260 -1 4 1 4 60.80 1.06 1.5234 -4 1 3 4 61.35 2.98 1.5112 3 1 2 4 62.09 1.84 1.4948 3 3 0 4 62.61 2.77 1.4838 -4 2 1 4 62.67 1.25 1.4823 1 0 4 2 63.22 1.68 1.4709 1 4 1 4 64.57 1.20 1.4433 2 3 2 4 65.14 1.16 1.4321 -2 4 1 4 65.88 1.41 1.4177 2 4 0 4 66.30 3.60 1.4098 1 3 3 4 66.46 1.13 1.4068 -3 3 3 4 66.48 1.74 1.4064 -4 2 3 4 66.85 2.22 1.3995 4 1 1 4 68.31 1.32 1.3731 -2 1 5 4 69.58 1.28 1.3511 -3 0 5 2 69.62 1.30 1.3504 -5 0 2 2 70.25 1.70 1.3398 -2 3 4 4 72.53 3.15 1.3033 0 3 4 4 73.57 1.01 1.2874 0 4 3 4 74.37 2.39 1.2755 -3 4 2 4 74.45 2.52 1.2744 -3 3 4 4 75.45 1.05 1.2599 -4 3 3 4 75.94 2.04 1.2530 3 3 2 4 76.56 1.81 1.2443 5 1 0 4 76.71 1.75 1.2424 -5 2 2 4 77.88 1.74 1.2266 -4 1 5 4 81.00 1.22 1.1870 4 3 1 4 82.36 1.14 1.1708 -2 3 5 4 83.97 1.34 1.1525 -4 4 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.