Tavorite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140258 Yakubovich O V, Urusov V S Geochemistry International 35 (1997) 630-638 The structure and electron density of Fe2+ -bearing tavorite in relation to the genetic crystal chemistry of secondary phosphates of lithium pegmatites Locality: synthetic _database_code_amcsd 0012660 CELL PARAMETERS: 5.3460 7.2780 5.1080 109.220 97.890 106.480 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Li 0.60710 0.18200 0.25400 0.385 1.400 Li 0.63100 0.29500 0.27800 0.115 1.200 Fe 0.00000 0.50000 0.00000 0.333 0.450 Fe 0.00000 0.00000 0.00000 0.333 0.400 Fe 0.00000 0.50000 0.50000 0.333 0.300 P 0.63897 0.76670 0.32444 0.500 0.410 O 0.65990 0.87800 0.11420 0.500 0.690 O 0.34130 0.66000 0.31070 0.500 0.710 O 0.94780 0.27430 0.15210 0.500 0.720 O 0.78790 0.61220 0.26620 0.500 0.850 O 0.24240 0.07110 0.36750 0.500 0.730 H 0.04000 0.27000 0.32000 0.500 2.100 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 5 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 2.860343008 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.76 7.55 6.4335 0 1 0 17.89 43.50 4.9573 1 0 0 18.68 6.19 4.7514 0 -1 1 19.03 1.28 4.6642 0 0 1 25.97 14.23 3.4305 1 -1 1 25.98 51.04 3.4299 -1 -1 1 26.27 42.83 3.3922 1 1 0 26.89 19.05 3.3160 0 -2 1 27.13 7.11 3.2868 -1 1 1 27.23 100.00 3.2750 -1 2 0 27.63 30.06 3.2281 0 1 1 27.73 1.83 3.2168 0 2 0 29.45 31.50 3.0332 1 0 1 29.57 6.58 3.0210 1 -2 1 33.88 16.34 2.6460 -2 1 0 35.18 4.26 2.5507 -1 -2 1 35.50 3.90 2.5289 0 -1 2 36.24 2.72 2.4786 2 0 0 36.46 12.30 2.4643 -2 0 1 36.93 2.45 2.4337 -1 2 1 37.63 3.13 2.3902 -1 -1 2 37.87 8.78 2.3757 0 -2 2 38.24 9.11 2.3538 -1 0 2 38.26 1.94 2.3522 1 1 1 38.34 6.74 2.3477 1 2 0 41.07 1.26 2.1977 2 -1 1 41.08 21.11 2.1974 -2 -1 1 42.18 17.11 2.1425 1 -2 2 42.18 2.31 2.1422 -1 -2 2 42.88 1.47 2.1092 -2 2 1 43.82 5.18 2.0661 -1 1 2 44.99 19.64 2.0149 0 -3 2 45.61 1.18 1.9889 2 0 1 46.15 9.11 1.9668 -2 0 2 46.27 2.74 1.9623 0 1 2 46.34 3.34 1.9594 2 -3 1 47.10 16.26 1.9294 1 0 2 49.08 2.68 1.8562 -2 1 2 49.37 10.72 1.8461 -1 3 1 50.28 5.09 1.8145 1 -4 1 52.50 1.17 1.7429 0 -4 1 52.57 1.08 1.7409 -3 1 1 53.12 1.02 1.7242 -1 2 2 53.35 3.84 1.7174 -1 4 0 53.42 5.89 1.7153 2 -2 2 53.43 12.15 1.7150 -2 -2 2 54.07 7.31 1.6961 2 2 0 55.13 4.15 1.6659 1 -4 2 55.13 1.29 1.6658 0 -1 3 55.28 6.02 1.6618 -3 2 1 55.42 2.43 1.6580 0 -4 2 55.51 1.05 1.6554 2 -3 2 55.62 14.92 1.6524 3 0 0 55.95 8.10 1.6434 -2 2 2 56.17 11.51 1.6375 -2 4 0 56.26 3.15 1.6351 -1 -2 3 57.06 15.62 1.6141 0 2 2 57.17 2.67 1.6112 -3 3 0 57.28 3.86 1.6084 0 4 0 58.25 1.03 1.5838 0 -3 3 59.45 3.09 1.5547 0 0 3 59.78 2.18 1.5469 -3 0 2 59.80 4.10 1.5466 1 -2 3 59.93 1.64 1.5434 3 -3 1 61.10 6.25 1.5166 2 0 2 61.20 1.08 1.5144 -1 -4 1 61.38 8.87 1.5105 2 -4 2 61.46 1.49 1.5086 -1 -3 3 61.91 2.79 1.4989 1 -1 3 62.17 6.73 1.4930 -1 -4 2 64.12 2.69 1.4523 -2 -2 3 64.43 1.36 1.4461 -2 4 1 64.44 1.33 1.4459 3 0 1 64.99 6.16 1.4351 -3 2 2 65.08 1.13 1.4333 -1 3 2 65.18 2.17 1.4312 -3 4 0 65.27 2.15 1.4296 2 2 1 65.34 1.13 1.4282 0 -4 3 65.96 1.11 1.4161 -2 3 2 66.37 3.05 1.4085 1 -5 2 67.00 2.04 1.3968 2 3 0 67.01 2.20 1.3966 1 2 2 67.21 2.88 1.3928 1 4 0 69.26 1.63 1.3567 3 -2 2 69.27 3.93 1.3564 -3 -2 2 69.47 2.24 1.3530 -2 5 0 70.46 1.41 1.3363 2 -5 2 71.24 1.06 1.3237 -4 1 1 71.28 8.76 1.3230 -4 2 0 72.94 2.95 1.2970 3 1 1 73.04 1.69 1.2955 -1 2 3 73.96 1.53 1.2816 2 -4 3 74.90 5.84 1.2678 -1 -2 4 75.05 1.37 1.2656 -2 -4 1 75.13 2.51 1.2644 0 -2 4 75.47 1.21 1.2597 0 -5 3 76.10 2.16 1.2507 -4 3 1 77.30 3.55 1.2344 0 -1 4 77.46 1.32 1.2322 -4 0 2 78.76 1.03 1.2151 -2 5 1 78.86 2.00 1.2138 -3 -3 2 78.95 2.62 1.2126 2 3 1 79.33 3.59 1.2078 -1 4 2 80.01 1.12 1.1992 4 -1 1 80.72 1.21 1.1905 1 -3 4 81.41 1.83 1.1821 4 -4 1 81.85 2.42 1.1769 -2 0 4 82.10 1.47 1.1738 2 4 0 84.11 1.02 1.1509 1 5 0 85.62 1.14 1.1344 0 4 2 88.84 1.16 1.1014 -3 -1 4 88.84 1.10 1.1014 3 1 2 89.80 1.24 1.0922 4 -4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.