Ba3(PO9)3(H2O)4 Averbuch-Pouchot M, Durif A Zeitschrift fur Kristallographie 174 (1986) 219-224 Crystal structure of barium cyclotriphosphate tetrahydrate, Ba3(PO9)3(H2O)4 _cod_database_code 1007162 _database_code_amcsd 0010957 CELL PARAMETERS: 16.0900 8.3680 7.7170 90.000 95.380 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1034.448 Density (g/cm3): 3.049 MAX. ABS. INTENSITY / VOLUME**2: 22.75269831 RIR: 2.430 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.05 9.82 8.0096 2 0 0 2 11.52 17.91 7.6830 0 0 1 2 11.93 44.93 7.4170 1 1 0 4 15.21 66.55 5.8241 -2 0 1 2 16.25 4.66 5.4558 -1 1 1 4 19.72 13.48 4.5013 3 1 0 4 21.24 23.48 4.1840 0 2 0 2 22.08 19.20 4.0251 -3 1 1 4 22.20 3.24 4.0048 4 0 0 2 23.15 3.28 3.8415 0 0 2 2 23.69 100.00 3.7565 3 1 1 4 24.00 1.80 3.7085 2 2 0 4 24.08 3.24 3.6962 -4 0 1 2 24.22 2.45 3.6745 0 2 1 4 25.65 7.67 3.4733 -1 1 2 4 26.04 1.92 3.4222 4 0 1 2 26.23 3.58 3.3980 -2 2 1 4 26.59 25.57 3.3522 1 1 2 4 27.15 32.97 3.2844 2 2 1 4 29.35 13.43 3.0433 -3 1 2 4 29.86 6.24 2.9920 5 1 0 4 30.70 7.84 2.9120 -4 0 2 2 30.91 4.76 2.8931 4 2 0 4 31.11 12.13 2.8745 -5 1 1 4 31.62 24.95 2.8297 0 2 2 4 32.32 1.31 2.7701 -4 2 1 4 32.58 9.37 2.7480 1 3 0 4 32.83 16.02 2.7279 -2 2 2 4 33.84 3.14 2.6490 4 2 1 4 34.33 6.44 2.6120 2 2 2 4 34.49 21.98 2.6008 -1 3 1 4 35.80 1.26 2.5085 -2 0 3 2 36.34 4.74 2.4723 3 3 0 4 36.62 5.22 2.4538 -1 1 3 4 37.65 3.51 2.3890 1 1 3 4 37.87 3.27 2.3756 2 0 3 2 38.74 13.07 2.3242 3 3 1 4 39.07 1.08 2.3057 -3 1 3 4 39.25 1.82 2.2955 -6 0 2 2 39.77 2.92 2.2663 5 1 2 4 39.97 3.93 2.2557 -4 0 3 2 40.03 1.10 2.2522 -1 3 2 4 40.06 2.92 2.2507 6 2 0 4 40.27 2.65 2.2393 4 2 2 4 40.67 8.56 2.2182 1 3 2 4 40.88 4.72 2.2075 -6 2 1 4 40.88 7.44 2.2074 7 1 0 4 41.94 12.64 2.1540 3 1 3 4 41.99 5.06 2.1515 -2 2 3 4 42.62 1.71 2.1213 -3 3 2 4 42.75 1.78 2.1153 6 2 1 4 42.99 5.51 2.1037 5 3 0 4 43.03 9.24 2.1019 6 0 2 2 43.25 8.40 2.0920 0 4 0 2 43.70 7.75 2.0712 4 0 3 2 43.92 14.61 2.0616 -5 3 1 4 44.51 9.91 2.0357 -5 1 3 4 45.05 1.73 2.0125 -6 2 2 4 45.29 4.65 2.0024 8 0 0 2 45.50 5.43 1.9934 -7 1 2 4 45.69 6.38 1.9855 -4 2 3 4 46.10 1.44 1.9688 -2 4 1 4 46.68 5.31 1.9460 2 4 1 4 47.64 5.51 1.9088 -2 0 4 2 48.44 1.61 1.8793 -1 1 4 4 48.47 3.42 1.8783 6 2 2 4 49.08 2.31 1.8562 4 2 3 4 49.31 3.31 1.8481 -8 0 2 2 49.62 2.83 1.8372 0 4 2 4 49.85 2.52 1.8293 2 0 4 2 50.46 1.95 1.8085 -2 4 2 4 50.53 5.64 1.8062 8 2 0 4 50.75 5.48 1.7991 5 3 2 4 50.95 1.03 1.7924 -8 2 1 4 51.18 1.40 1.7849 4 4 1 4 52.55 4.29 1.7414 3 3 3 4 52.57 1.36 1.7410 9 1 0 4 52.71 1.67 1.7366 -2 2 4 4 52.84 1.41 1.7325 -9 1 1 4 54.26 4.22 1.6905 -8 2 2 4 54.77 1.30 1.6761 2 2 4 4 55.18 1.84 1.6645 1 5 0 4 55.59 4.13 1.6532 -7 3 2 4 59.13 1.17 1.5625 1 3 4 4 59.41 3.05 1.5556 5 1 4 4 59.44 4.40 1.5549 3 5 1 4 59.66 2.86 1.5497 -3 3 4 4 60.10 2.33 1.5396 10 0 1 2 60.34 3.08 1.5339 -4 4 3 4 60.87 1.49 1.5219 1 5 2 4 60.88 4.25 1.5216 -6 2 4 4 61.02 3.42 1.5186 -7 1 4 4 61.61 1.57 1.5054 -9 1 3 4 62.17 1.83 1.4932 -10 2 1 4 62.23 1.64 1.4918 1 1 5 4 62.28 1.71 1.4907 -3 1 5 4 62.34 1.27 1.4895 -3 5 2 4 62.65 1.79 1.4828 6 4 2 4 62.70 3.00 1.4818 -4 0 5 2 63.17 2.36 1.4719 4 4 3 4 64.41 4.15 1.4465 8 4 0 4 64.62 2.06 1.4424 0 2 5 4 65.02 2.13 1.4345 -11 1 1 4 65.73 1.42 1.4205 8 2 3 4 66.44 2.27 1.4071 6 2 4 4 67.00 1.36 1.3968 -4 2 5 4 67.11 4.43 1.3947 0 6 0 2 67.51 2.35 1.3874 11 1 1 4 67.64 1.91 1.3850 -8 4 2 4 67.81 1.38 1.3821 9 1 3 4 68.97 1.76 1.3616 9 3 2 4 69.28 1.57 1.3563 -2 6 1 4 69.59 1.27 1.3509 7 5 0 4 70.00 1.38 1.3440 -10 2 3 4 70.14 3.24 1.3417 -9 3 3 4 70.34 2.21 1.3384 3 5 3 4 70.77 3.42 1.3312 -3 3 5 4 71.43 1.01 1.3207 5 1 5 4 71.44 2.37 1.3205 4 2 5 4 72.20 2.42 1.3085 -5 5 3 4 73.34 1.24 1.2909 11 3 0 4 73.35 1.12 1.2907 -11 3 1 4 73.56 1.82 1.2875 -6 4 4 4 74.67 2.28 1.2711 -1 1 6 4 75.72 2.78 1.2561 11 3 1 4 76.00 1.88 1.2522 9 3 3 4 76.82 1.03 1.2408 -12 2 2 4 78.04 1.27 1.2244 0 2 6 4 78.70 1.24 1.2159 6 4 4 4 79.54 1.17 1.2051 11 1 3 4 79.62 1.32 1.2041 -7 3 5 4 83.12 1.56 1.1621 6 6 2 4 83.58 1.13 1.1568 4 6 3 4 84.18 1.26 1.1501 5 5 4 4 84.20 2.21 1.1498 3 7 1 4 86.41 1.26 1.1261 -2 6 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.