Li0.88Ta3O8 Hodeau J, Marezio M, Santoro A, Roth R Journal of Solid State Chemistry 51 (1984) 275-292 Neutron diffraction structure determination of the high-temperature form of lithium tritantalate, H-LiTa3O8 Locality: synthetic _cod_database_code 1008239 _database_code_amcsd 0016161 CELL PARAMETERS: 16.7180 7.6960 8.9310 90.000 90.000 90.000 SPACE GROUP: Pmmn X-RAY WAVELENGTH: 1.541838 Cell Volume: 1149.078 Density (g/cm3): 7.825 MAX. ABS. INTENSITY / VOLUME**2: 187.1284548 RIR: 7.787 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.90 1.69 8.9310 0 0 1 2 10.58 9.90 8.3590 2 0 0 2 11.23 4.69 7.8774 1 0 1 4 18.77 1.40 4.7278 3 0 1 4 19.88 3.91 4.4655 0 0 2 2 20.59 2.96 4.3142 1 0 2 4 22.57 8.06 3.9387 2 0 2 4 23.11 100.00 3.8480 0 2 0 2 23.50 25.71 3.7855 4 0 1 4 25.48 1.75 3.4954 2 2 0 4 25.56 62.40 3.4847 3 0 2 4 25.77 1.25 3.4575 1 2 1 8 28.50 36.15 3.1313 5 0 1 4 30.50 22.37 2.9309 1 0 3 4 30.67 2.58 2.9150 0 2 2 4 31.14 1.25 2.8717 1 2 2 8 31.91 14.19 2.8045 2 0 3 4 32.12 7.35 2.7863 6 0 0 2 32.53 5.16 2.7525 2 2 2 8 33.20 15.55 2.6986 4 2 1 8 33.48 4.53 2.6765 5 0 2 4 33.70 3.22 2.6599 6 0 1 4 34.73 36.77 2.5830 3 2 2 8 37.01 25.57 2.4288 5 2 1 8 38.07 1.14 2.3639 6 0 2 4 38.62 16.47 2.3316 1 2 3 8 39.77 9.98 2.2664 2 2 3 8 39.95 5.13 2.2568 6 2 0 4 40.40 1.79 2.2327 0 0 4 2 40.57 1.14 2.2234 5 0 3 4 41.08 3.71 2.1972 5 2 2 8 41.26 1.95 2.1880 6 2 1 8 42.95 1.59 2.1060 7 0 2 4 43.30 2.41 2.0898 8 0 0 2 43.67 1.90 2.0726 3 0 4 4 44.53 3.42 2.0348 8 0 1 4 45.01 1.42 2.0142 6 2 2 8 46.09 4.31 1.9694 4 0 4 4 47.06 1.34 1.9312 0 2 4 4 47.21 1.27 1.9252 5 2 3 8 47.24 16.99 1.9240 0 4 0 2 48.07 3.28 1.8927 8 0 2 4 48.89 2.71 1.8629 7 0 3 4 49.06 5.35 1.8568 5 0 4 4 49.33 1.38 1.8474 7 2 2 8 49.64 2.23 1.8364 8 2 0 4 49.98 2.02 1.8247 3 2 4 8 50.75 3.55 1.7988 8 2 1 8 51.14 2.50 1.7862 0 0 5 2 51.45 1.22 1.7761 1 0 5 4 52.18 4.28 1.7531 4 2 4 8 52.38 3.07 1.7468 2 0 5 4 52.97 1.15 1.7288 2 4 2 8 53.42 4.38 1.7152 4 4 1 8 53.58 9.24 1.7104 8 0 3 4 53.99 3.64 1.6984 8 2 2 8 54.48 12.44 1.6843 3 4 2 8 54.74 2.72 1.6767 7 2 3 8 54.90 5.57 1.6723 5 2 4 8 54.92 4.51 1.6718 10 0 0 2 55.92 1.04 1.6442 9 2 1 8 55.99 4.40 1.6425 4 0 5 4 56.10 9.22 1.6393 5 4 1 8 56.83 2.86 1.6202 0 2 5 4 57.12 1.12 1.6126 1 2 5 8 57.28 6.14 1.6084 1 4 3 8 57.98 3.65 1.5906 2 2 5 8 58.14 4.84 1.5865 2 4 3 8 58.28 2.55 1.5832 6 4 0 4 58.57 2.64 1.5759 9 0 3 4 58.59 1.49 1.5755 5 0 5 4 59.11 10.55 1.5630 8 2 3 8 59.14 1.49 1.5622 5 4 2 8 59.28 1.03 1.5589 6 4 1 8 60.37 5.31 1.5333 10 2 0 4 61.37 5.02 1.5106 4 2 5 8 61.93 2.06 1.4983 11 0 1 4 62.66 1.41 1.4826 1 0 6 4 63.82 3.08 1.4584 9 2 3 8 63.84 1.49 1.4580 5 2 5 8 64.83 1.18 1.4381 3 0 6 4 65.85 1.26 1.4183 8 2 4 8 66.93 1.57 1.3980 8 4 1 8 67.03 2.76 1.3962 11 2 1 8 67.73 1.54 1.3835 1 2 6 8 68.13 2.02 1.3762 4 4 4 8 69.69 1.59 1.3493 8 4 2 8 69.82 1.80 1.3471 3 2 6 8 70.34 1.22 1.3383 7 4 3 8 70.48 2.51 1.3361 5 4 4 8 72.16 1.41 1.3090 0 4 5 4 73.00 1.23 1.2961 12 2 1 8 73.18 1.92 1.2933 2 4 5 8 73.89 2.21 1.2827 0 6 0 2 74.18 5.29 1.2783 8 4 3 8 75.22 1.14 1.2632 7 0 6 4 75.31 2.69 1.2620 10 4 0 4 76.21 2.64 1.2492 4 4 5 8 77.19 2.27 1.2358 13 0 2 4 78.45 1.67 1.2192 9 4 3 8 79.65 2.30 1.2037 3 6 2 8 79.93 1.59 1.2002 7 2 6 8 81.01 2.04 1.1869 5 6 1 8 81.30 1.18 1.1834 3 2 7 8 81.41 1.60 1.1821 11 4 1 8 81.87 3.39 1.1766 13 2 2 8 82.00 1.26 1.1751 1 6 3 8 82.74 1.09 1.1665 2 6 3 8 83.16 1.06 1.1616 9 0 6 4 87.78 1.75 1.1120 9 2 6 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.