Ba2 Li3 O21 P7 El Horr N, Bagieu M, Guitel J, Tordjman I Zeitschrift fur Kristallographie 169 (1984) 73-82 Crystal data and crystal structure of barium-lithium polyphosphate Ba2Li3(PO3)7 _cod_database_code 1008944 _database_code_amcsd 0016808 CELL PARAMETERS: 18.0140 8.5350 11.5840 90.000 104.480 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 1724.458 Density (g/cm3): 3.267 MAX. ABS. INTENSITY / VOLUME**2: 20.42878754 RIR: 2.036 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.14 34.72 8.7209 2 0 0 2 13.25 18.41 6.6804 -1 1 1 4 14.70 3.77 6.0280 1 1 1 4 15.80 3.90 5.6080 0 0 2 2 16.52 1.91 5.3667 -2 0 2 2 17.73 2.98 5.0039 2 1 1 4 18.53 2.50 4.7896 -3 1 1 4 20.82 16.15 4.2675 0 2 0 2 20.86 34.52 4.2574 2 0 2 2 21.44 14.77 4.1452 1 2 0 4 21.57 34.73 4.1194 3 1 1 4 22.48 3.14 3.9547 -4 0 2 2 22.50 39.99 3.9514 -4 1 1 4 23.20 16.27 3.8332 2 2 0 4 23.67 1.36 3.7591 4 0 1 2 25.33 9.12 3.5161 -1 1 3 4 25.68 2.99 3.4694 -2 1 3 4 25.90 2.92 3.4402 3 2 0 4 25.90 12.84 3.4402 4 1 1 4 26.24 2.60 3.3960 0 2 2 4 26.69 1.65 3.3402 -2 2 2 4 26.91 22.77 3.3136 -5 1 1 4 27.02 100.00 3.2996 -3 1 3 4 27.51 79.17 3.2426 1 2 2 4 28.91 2.76 3.0884 4 0 2 2 29.24 4.33 3.0544 -4 1 3 4 29.28 2.50 3.0499 4 2 0 4 30.53 26.91 2.9281 5 1 1 4 30.76 2.22 2.9070 6 0 0 2 30.91 6.07 2.8933 -6 0 2 2 31.59 1.20 2.8321 -6 1 1 4 31.92 3.04 2.8040 0 0 4 2 32.16 4.19 2.7831 -5 1 3 4 32.48 2.71 2.7563 3 2 2 4 32.56 1.76 2.7500 -1 3 1 4 33.17 3.07 2.7008 5 2 0 4 33.27 3.70 2.6933 3 1 3 4 33.39 2.23 2.6834 -4 0 4 2 33.47 7.47 2.6771 -2 3 1 4 33.94 1.04 2.6415 -5 2 2 4 34.72 1.31 2.5841 2 3 1 4 35.15 11.84 2.5531 -3 3 1 4 35.38 2.10 2.5371 6 1 1 4 36.01 12.61 2.4939 2 0 4 2 36.93 3.02 2.4343 3 3 1 4 37.43 3.27 2.4025 6 2 0 4 37.50 27.95 2.3982 -4 3 1 4 37.56 1.12 2.3948 -6 2 2 4 38.41 15.27 2.3434 0 2 4 4 38.64 6.88 2.3302 -6 0 4 2 39.35 6.56 2.2899 -1 3 3 4 39.58 4.47 2.2768 -2 3 3 4 39.68 2.25 2.2716 -4 2 4 4 39.73 4.25 2.2685 4 3 1 4 39.82 6.72 2.2640 0 3 3 4 39.87 1.93 2.2610 1 2 4 4 40.34 1.94 2.2358 -2 1 5 4 40.40 5.56 2.2325 7 1 1 4 40.47 7.68 2.2290 -8 0 2 2 40.51 1.71 2.2268 -3 3 3 4 40.65 4.10 2.2197 -1 1 5 4 40.72 3.31 2.2157 -3 1 5 4 40.94 4.56 2.2044 5 1 3 4 41.41 1.89 2.1802 8 0 0 2 41.96 7.56 2.1532 2 2 4 4 41.99 12.18 2.1518 7 2 0 4 42.09 5.56 2.1466 -4 3 3 4 42.46 5.25 2.1287 4 0 4 2 42.69 5.12 2.1180 1 4 0 4 43.04 1.12 2.1014 5 3 1 4 43.25 2.62 2.0919 1 1 5 4 43.84 4.28 2.0651 -6 3 1 4 44.29 1.19 2.0452 -6 2 4 4 44.61 6.64 2.0313 3 2 4 4 45.31 4.32 2.0016 -1 4 2 4 45.89 5.32 1.9773 -8 0 4 2 45.93 2.57 1.9757 -8 2 2 4 46.28 4.70 1.9618 1 4 2 4 46.78 3.06 1.9419 6 3 1 4 46.79 4.99 1.9415 8 2 0 4 47.38 6.71 1.9189 -7 2 4 4 47.91 1.44 1.8986 -4 0 6 2 48.00 5.52 1.8954 4 3 3 4 48.38 2.67 1.8814 -9 1 3 4 48.43 4.71 1.8795 8 0 2 2 48.52 1.24 1.8763 -7 1 5 4 49.63 1.65 1.8369 3 4 2 4 49.96 2.44 1.8257 7 1 3 4 50.57 2.17 1.8049 -9 2 2 4 50.83 11.76 1.7965 -2 3 5 4 50.90 1.84 1.7941 -8 2 4 4 51.05 4.71 1.7889 -6 0 6 2 51.33 4.46 1.7800 5 3 3 4 51.38 1.30 1.7784 4 1 5 4 51.81 2.16 1.7645 9 2 0 4 52.46 1.41 1.7442 10 0 0 2 52.77 1.36 1.7347 -4 2 6 4 53.98 1.23 1.6987 -5 2 6 4 54.98 2.34 1.6700 5 1 5 4 55.04 2.89 1.6686 -2 5 1 4 55.06 4.25 1.6680 6 3 3 4 55.13 1.81 1.6659 1 4 4 4 55.72 2.35 1.6498 -6 2 6 4 56.48 1.71 1.6293 -7 4 2 4 56.58 4.08 1.6268 -5 4 4 4 56.68 2.37 1.6241 -3 1 7 4 56.81 1.98 1.6207 7 4 0 4 57.45 6.12 1.6041 -1 1 7 4 57.66 5.90 1.5986 -11 1 1 4 57.84 2.11 1.5941 -4 5 1 4 57.94 1.50 1.5915 -7 2 6 4 58.37 1.47 1.5809 4 0 6 2 58.67 1.16 1.5737 -6 4 4 4 59.36 1.33 1.5569 -2 5 3 4 59.47 4.48 1.5543 4 5 1 4 59.69 1.22 1.5492 3 2 6 4 60.05 1.89 1.5406 -3 5 3 4 60.30 1.56 1.5350 1 1 7 4 60.73 1.50 1.5250 8 4 0 4 61.22 5.04 1.5139 -7 4 4 4 61.98 1.06 1.4972 5 5 1 4 62.06 3.53 1.4955 -10 3 3 4 63.78 1.73 1.4593 -11 1 5 4 65.01 3.00 1.4346 9 4 0 4 65.24 1.02 1.4301 -3 3 7 4 65.27 1.15 1.4295 -3 4 6 4 65.88 1.15 1.4178 1 6 0 4 65.92 2.12 1.4170 4 5 3 4 66.70 1.13 1.4024 -11 3 3 4 67.04 1.59 1.3961 0 3 7 4 67.85 1.08 1.3812 -1 6 2 4 67.87 2.41 1.3809 1 4 6 4 67.97 1.13 1.3792 12 1 1 4 69.04 2.74 1.3603 9 2 4 4 69.15 1.19 1.3584 0 5 5 4 69.26 1.74 1.3566 -4 5 5 4 69.28 4.26 1.3563 -5 2 8 4 71.39 1.28 1.3213 7 3 5 4 71.65 1.24 1.3171 -12 3 3 4 71.84 2.62 1.3141 6 5 3 4 71.93 1.45 1.3127 -8 3 7 4 72.01 1.84 1.3115 3 4 6 4 73.63 1.33 1.2866 -11 1 7 4 74.63 1.39 1.2718 -9 3 7 4 75.34 2.27 1.2616 -14 0 4 2 75.38 1.21 1.2609 6 1 7 4 75.80 1.71 1.2550 1 6 4 4 75.80 1.03 1.2550 8 3 5 4 75.84 1.96 1.2544 12 3 1 4 76.31 1.01 1.2478 -12 3 5 4 76.95 1.63 1.2391 -7 6 2 4 77.03 1.18 1.2380 -5 6 4 4 77.75 1.69 1.2283 -10 3 7 4 80.14 1.25 1.1976 -13 2 6 4 81.03 1.12 1.1867 -2 5 7 4 81.49 1.28 1.1811 -9 1 9 4 83.00 1.31 1.1635 6 3 7 4 83.07 1.04 1.1626 -1 7 3 4 83.12 1.30 1.1621 13 1 3 4 83.28 1.05 1.1603 -10 5 5 4 83.44 1.56 1.1584 -4 0 10 2 83.74 1.61 1.1550 -15 2 2 4 84.49 1.07 1.1467 9 6 0 4 86.92 1.45 1.1208 -12 5 3 4 87.18 1.33 1.1181 -8 5 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.