Hsianghualite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060722 Rastsvetaeva R K, Rekhlova O Y, Andrianov V I, Malinovskii Y A Soviet Physics, Doklady 36 (1991) 11-13 Crystal structure of hsianghualite Locality: China CELL PARAMETERS: 12.8670 12.8670 12.8670 90.000 90.000 90.000 SPACE GROUP: I2_13 ATOM X Y Z OCCUPANCY ISO(B) Li 0.47690 0.47690 0.47690 1.000 1.900 Li 0.22960 0.22960 0.22960 1.000 2.600 Ca 0.08630 0.00000 0.25000 1.000 1.830 Ca 0.50000 0.25000 0.34450 1.000 1.890 Be 0.37080 0.32960 0.09350 1.000 1.900 Si 0.12390 0.15530 0.42030 1.000 1.670 O 0.10340 0.39340 0.01210 1.000 1.810 O 0.06740 0.38240 0.20770 1.000 1.780 O 0.35840 0.14950 0.26200 1.000 1.860 O 0.36700 0.18240 0.45730 1.000 1.900 F 0.39540 0.39540 0.39540 1.000 2.200 F 0.14540 0.14540 0.14540 1.000 2.100 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 9.395289359 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.88 14.36 5.2529 2 1 1 19.51 27.06 4.5492 2 2 0 21.84 7.17 4.0689 3 0 1 21.84 5.37 4.0689 3 1 0 23.96 20.10 3.7144 2 2 2 25.91 28.32 3.4389 3 2 1 25.91 27.65 3.4389 3 1 2 27.73 31.52 3.2167 4 0 0 29.45 7.39 3.0328 3 3 0 31.08 4.75 2.8771 4 0 2 31.08 6.78 2.8771 4 2 0 32.64 100.00 2.7433 3 3 2 34.14 29.45 2.6265 4 2 2 35.58 1.97 2.5234 5 0 1 35.58 6.62 2.5234 4 3 1 38.31 15.74 2.3492 5 2 1 38.31 10.40 2.3492 5 1 2 39.62 2.43 2.2746 4 4 0 40.90 23.57 2.2067 5 0 3 40.90 37.26 2.2067 5 3 0 43.35 21.79 2.0873 5 3 2 43.35 22.36 2.0873 5 2 3 43.35 1.39 2.0873 6 1 1 44.54 1.56 2.0345 6 0 2 44.54 2.46 2.0345 6 2 0 45.70 1.56 1.9854 5 4 1 46.83 1.46 1.9398 6 2 2 47.95 2.37 1.8971 6 3 1 47.95 6.27 1.8971 6 1 3 49.05 2.59 1.8572 4 4 4 50.13 5.28 1.8197 5 4 3 50.13 5.10 1.8197 5 3 4 50.13 3.80 1.8197 7 1 0 51.20 9.80 1.7843 6 0 4 51.20 11.02 1.7843 6 4 0 52.24 14.18 1.7510 5 5 2 52.24 4.56 1.7510 7 2 1 52.24 6.46 1.7510 7 1 2 52.24 7.45 1.7510 6 3 3 53.28 1.44 1.7194 6 2 4 54.30 9.91 1.6895 7 0 3 54.30 1.76 1.6895 7 3 0 56.30 2.22 1.6341 6 1 5 56.30 1.30 1.6341 7 3 2 57.28 6.84 1.6084 8 0 0 58.25 1.22 1.5838 5 5 4 58.25 6.66 1.5838 7 4 1 58.25 1.19 1.5838 7 1 4 59.22 6.61 1.5604 8 0 2 59.22 4.97 1.5604 8 2 0 60.17 1.17 1.5379 6 3 5 61.11 2.25 1.5164 6 6 0 61.11 1.57 1.5164 8 2 2 62.05 1.22 1.4958 7 3 4 62.05 5.08 1.4958 7 0 5 62.05 1.84 1.4958 7 5 0 63.90 1.38 1.4569 7 2 5 66.61 1.77 1.4039 8 4 2 66.61 1.05 1.4039 8 2 4 67.51 1.27 1.3875 9 1 2 67.51 1.16 1.3875 7 6 1 67.51 1.16 1.3875 7 1 6 67.51 1.12 1.3875 6 5 5 68.39 5.45 1.3716 6 6 4 69.28 3.76 1.3563 8 5 1 69.28 1.87 1.3563 7 5 4 69.28 1.93 1.3563 7 4 5 71.03 3.47 1.3271 9 3 2 71.03 4.85 1.3271 9 2 3 71.03 1.59 1.3271 7 3 6 71.89 1.06 1.3132 8 4 4 72.76 1.16 1.2998 8 5 3 72.76 1.54 1.2998 8 3 5 74.47 1.95 1.2740 7 7 2 76.17 1.01 1.2498 9 4 3 76.17 1.12 1.2498 9 0 5 77.86 1.33 1.2268 7 6 5 77.86 1.59 1.2268 9 2 5 77.86 1.94 1.2268 7 5 6 77.86 3.85 1.2268 10 3 1 77.86 3.38 1.2268 10 1 3 79.54 1.14 1.2051 8 1 7 79.54 1.57 1.2051 8 7 1 82.04 1.48 1.1746 10 2 4 82.87 3.51 1.1649 8 7 3 82.87 1.92 1.1649 9 5 4 82.87 2.85 1.1649 8 3 7 84.53 1.12 1.1463 11 2 1 84.53 1.62 1.1463 10 5 1 84.53 1.40 1.1463 10 1 5 84.53 3.53 1.1463 9 3 6 87.83 1.63 1.1115 11 3 2 87.83 1.01 1.1115 11 2 3 87.83 1.54 1.1115 7 7 6 89.47 1.19 1.0953 8 7 5 89.47 1.34 1.0953 8 5 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.