Nepheline Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090059 Simmons W B, Peacor D R American Mineralogist 57 (1972) 1711-1719 Refinement of the crystal structure of a volcanic nepheline CELL PARAMETERS: 10.0160 10.0160 8.3940 90.000 90.000 120.000 SPACE GROUP: P6_3 ATOM X Y Z OCCUPANCY ISO(B) Na 0.99720 0.44320 0.99130 1.000 1.845 K 0.00000 0.00000 0.98930 1.000 2.958 Al 0.33330 0.66670 0.18770 0.510 1.051 Si 0.33330 0.66670 0.18770 0.490 1.051 Si 0.33330 0.66670 0.79900 0.580 1.580 Al 0.33330 0.66670 0.79900 0.420 1.580 Si 0.09330 0.33440 0.30900 0.840 0.882 Al 0.09330 0.33440 0.30900 0.160 0.882 Al 0.09340 0.33180 0.68240 0.730 0.842 Si 0.09340 0.33180 0.68240 0.270 0.842 O 0.33270 0.70240 0.98460 0.333 2.471 O 0.02690 0.31680 0.49210 1.000 2.032 O 0.17130 0.52350 0.72100 1.000 2.896 O 0.16470 0.51080 0.23930 1.000 1.489 O 0.22580 0.28730 0.30990 1.000 1.182 O 0.22290 0.26570 0.68920 1.000 1.693 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 8.771557847 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.71 1.91 5.0080 1 1 0 20.48 9.15 4.3371 2 0 0 20.65 7.04 4.3007 1 1 1 21.17 37.83 4.1970 0 0 2 23.08 68.91 3.8531 2 0 1 23.55 8.14 3.7780 1 0 2 27.20 12.87 3.2785 1 2 0 27.20 32.49 3.2785 2 1 0 29.24 8.75 3.0538 1 2 1 29.24 1.39 3.0538 2 1 1 29.62 100.00 3.0160 2 0 2 30.93 45.04 2.8914 3 0 0 33.66 1.27 2.6629 1 0 3 34.72 1.93 2.5837 1 2 2 34.72 22.85 2.5837 2 1 2 35.86 17.43 2.5040 2 2 0 36.80 2.01 2.4426 1 1 3 37.38 2.48 2.4058 3 1 0 37.38 11.60 2.4058 1 3 0 37.48 2.36 2.3995 2 2 1 37.78 3.04 2.3810 3 0 2 38.28 38.69 2.3512 2 0 3 38.94 14.65 2.3127 3 1 1 38.94 8.59 2.3127 1 3 1 41.65 4.60 2.1685 4 0 0 42.02 1.93 2.1504 2 2 2 42.47 4.16 2.1283 1 2 3 42.47 2.77 2.1283 2 1 3 43.08 1.10 2.0996 4 0 1 43.11 12.60 2.0985 0 0 4 43.35 3.47 2.0872 3 1 2 43.35 1.10 2.0872 1 3 2 45.59 2.37 1.9900 3 2 0 46.92 7.37 1.9363 2 3 1 46.92 1.61 1.9363 3 2 1 47.18 5.18 1.9266 4 0 2 48.07 3.16 1.8928 4 1 0 48.17 4.59 1.8890 2 0 4 49.35 2.06 1.8465 1 4 1 50.78 6.96 1.7981 3 2 2 51.72 1.30 1.7674 1 2 4 52.77 1.07 1.7348 5 0 0 53.46 2.95 1.7140 4 0 3 53.97 5.21 1.6989 5 0 1 53.99 1.98 1.6983 3 0 4 56.11 1.88 1.6393 2 4 0 56.11 3.04 1.6393 4 2 0 56.77 8.45 1.6217 2 3 3 56.77 1.95 1.6217 3 2 3 57.26 1.64 1.6089 2 4 1 57.48 6.09 1.6033 5 0 2 57.94 1.03 1.5917 1 1 5 58.35 1.16 1.5814 3 1 4 58.91 2.86 1.5678 1 4 3 58.91 5.05 1.5678 4 1 3 59.00 14.24 1.5656 2 0 5 59.32 2.58 1.5579 1 5 0 59.60 2.17 1.5511 3 3 2 60.44 1.23 1.5318 1 5 1 60.65 4.09 1.5269 2 4 2 61.49 1.29 1.5080 4 0 4 63.05 6.37 1.4744 5 0 3 63.72 2.48 1.4605 1 5 2 64.54 1.15 1.4440 2 3 4 65.06 9.50 1.4336 3 3 3 66.88 3.28 1.3990 0 0 6 67.43 13.15 1.3890 2 5 0 67.43 5.81 1.3890 5 2 0 68.11 2.09 1.3767 1 3 5 68.11 4.08 1.3767 3 1 5 69.63 1.02 1.3502 3 4 2 69.63 1.27 1.3502 4 3 2 71.00 1.26 1.3275 4 0 5 71.55 3.75 1.3186 2 5 2 73.85 5.70 1.2832 2 3 5 73.85 1.46 1.2832 3 2 5 74.71 2.63 1.2705 4 3 3 75.49 3.23 1.2593 3 0 6 78.28 3.15 1.2213 2 2 6 79.20 1.94 1.2094 1 3 6 79.44 5.19 1.2064 5 0 5 80.71 1.39 1.1905 6 0 4 80.88 5.39 1.1884 7 0 2 84.84 1.06 1.1428 4 4 3 84.92 1.04 1.1420 1 5 5 85.75 3.00 1.1330 7 0 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.