Nambulite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060616 Narita H, Koto K, Morimoto N, Yoshii M Acta Crystallographica B31 (1975) 2422-2426 The crystal structure of nambulite (Li,Na)Mn4Si5O14(OH) CELL PARAMETERS: 7.6000 11.7220 6.7290 92.860 94.850 106.550 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Li 0.67510 0.14320 0.36810 0.550 1.160 Na 0.67510 0.14320 0.36810 0.450 1.160 Mn 0.59120 0.65140 0.06310 1.000 0.260 Mn 0.81030 0.94170 0.12580 1.000 0.280 Mn 0.04070 0.23540 0.17590 1.000 0.490 Mn 0.24330 0.51430 0.26450 1.000 0.760 Si 0.27200 0.05990 0.35920 1.000 0.910 Si 0.46980 0.32910 0.42750 1.000 0.920 Si 0.81520 0.45390 0.22020 1.000 0.870 Si 0.00080 0.72440 0.30340 1.000 0.820 Si 0.34540 0.85450 0.12030 1.000 0.940 O 0.18800 0.00740 0.55950 1.000 1.370 O 0.11940 0.06990 0.18450 1.000 0.950 O 0.42540 0.18470 0.42570 1.000 1.550 O 0.32760 0.35210 0.25170 1.000 1.120 O 0.53790 0.61230 0.35420 1.000 1.190 O 0.68780 0.37570 0.38060 1.000 1.100 O 0.97670 0.39730 0.17360 1.000 1.360 O 0.68120 0.46950 0.03410 1.000 1.030 O 0.92460 0.58320 0.33990 1.000 1.170 O 0.87580 0.76580 0.13250 1.000 1.070 O -0.01380 0.20420 0.48300 1.000 1.280 O 0.21090 0.74510 0.23570 1.000 1.360 O 0.53130 0.82340 0.07760 1.000 1.110 O 0.76750 0.11960 0.07480 1.000 1.150 O 0.39350 0.97290 0.28110 1.000 1.070 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 10 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 8.616922971 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.89 10.75 11.2026 0 1 0 12.21 2.79 7.2463 1 0 0 12.47 29.81 7.0966 -1 1 0 13.24 29.76 6.6848 0 0 1 15.82 1.43 5.6013 0 2 0 17.09 7.22 5.1873 -1 0 1 18.70 17.72 4.7444 1 -1 1 18.97 1.58 4.6787 1 0 1 21.56 3.78 4.1218 -1 2 1 22.71 2.58 3.9154 1 2 0 23.42 3.64 3.7990 -1 3 0 23.51 2.20 3.7842 -2 1 0 25.06 2.12 3.5531 -1 -2 1 25.10 16.64 3.5483 -2 2 0 26.10 1.40 3.4147 -2 1 1 26.42 1.19 3.3732 0 -3 1 26.67 12.01 3.3424 0 0 2 26.70 4.96 3.3385 1 -3 1 26.75 7.65 3.3326 -2 0 1 27.29 3.46 3.2684 -1 3 1 28.00 2.16 3.1869 2 1 0 28.03 3.90 3.1837 2 -1 1 28.23 47.25 3.1617 -1 0 2 28.45 18.47 3.1370 0 1 2 28.93 8.94 3.0868 -2 3 0 28.93 9.77 3.0862 -1 1 2 29.10 37.21 3.0688 2 -2 1 29.66 1.21 3.0117 -2 -1 1 29.77 23.43 3.0011 -1 -1 2 29.93 3.96 2.9850 1 3 0 30.05 15.57 2.9733 0 -2 2 30.14 57.82 2.9650 1 -1 2 30.59 2.16 2.9226 1 0 2 30.70 100.00 2.9122 -1 4 0 31.64 2.41 2.8282 -2 3 1 31.81 2.65 2.8131 1 -2 2 31.96 1.25 2.8007 0 4 0 32.23 1.44 2.7773 2 -3 1 33.07 1.43 2.7089 1 -4 1 33.08 3.26 2.7083 1 1 2 33.12 97.05 2.7049 2 2 0 33.73 2.35 2.6575 0 -4 1 34.06 26.62 2.6325 -1 4 1 34.15 1.62 2.6255 1 3 1 34.31 9.89 2.6135 -2 -2 1 34.32 31.73 2.6131 -2 1 2 34.58 3.35 2.5936 -2 0 2 35.68 7.68 2.5166 -3 1 0 35.96 24.28 2.4974 -3 2 0 37.02 1.12 2.4284 -3 1 1 37.24 20.50 2.4145 1 2 2 37.26 2.03 2.4132 2 2 1 37.48 6.54 2.3998 0 3 2 37.52 2.42 2.3968 -3 2 1 37.93 3.76 2.3722 2 -2 2 38.04 2.30 2.3655 -3 3 0 38.27 2.70 2.3517 -1 -3 2 38.45 1.02 2.3410 -1 5 0 38.48 1.36 2.3394 2 0 2 39.36 1.19 2.2892 2 3 0 39.38 2.22 2.2882 3 -1 1 40.20 1.57 2.2430 1 -5 1 40.24 1.18 2.2412 2 -3 2 40.38 22.65 2.2335 0 -4 2 40.42 14.18 2.2314 3 1 0 40.43 1.72 2.2312 -2 -2 2 40.67 4.71 2.2186 0 -1 3 40.74 25.62 2.2150 -2 5 0 41.14 32.44 2.1944 -1 0 3 41.47 1.33 2.1774 -1 5 1 41.50 1.25 2.1758 0 -5 1 41.69 3.72 2.1667 -3 4 0 41.95 1.32 2.1538 0 1 3 42.48 1.86 2.1278 0 -2 3 42.84 14.24 2.1111 2 -5 1 43.19 2.07 2.0946 2 3 1 43.65 4.34 2.0736 -3 2 2 44.19 21.83 2.0495 3 1 1 45.53 5.74 1.9925 -2 1 3 47.05 5.84 1.9315 0 -5 2 48.52 2.30 1.8763 -4 1 0 48.53 5.74 1.8760 -1 5 2 49.03 1.75 1.8580 2 -5 2 49.11 4.89 1.8552 -4 3 0 49.21 2.03 1.8514 0 3 3 49.22 3.66 1.8511 1 2 3 49.68 2.84 1.8350 -2 5 2 49.90 3.56 1.8275 -2 3 3 49.96 1.77 1.8254 -2 -2 3 50.12 3.91 1.8200 -3 -2 2 50.14 3.12 1.8194 -4 3 1 50.31 1.32 1.8135 0 -4 3 50.37 2.02 1.8116 4 0 0 50.82 4.23 1.7967 2 3 2 50.97 1.27 1.7916 3 -4 2 51.44 2.52 1.7765 -2 -4 2 51.71 4.15 1.7676 3 1 2 52.04 3.60 1.7575 4 -3 1 52.69 1.29 1.7372 -1 4 3 52.71 4.88 1.7365 2 1 3 52.96 1.14 1.7291 -3 0 3 53.77 5.58 1.7047 4 0 1 53.81 1.41 1.7036 -4 -1 1 54.02 6.50 1.6974 -2 4 3 54.09 11.92 1.6954 -3 5 2 54.11 1.15 1.6950 -2 -3 3 54.17 27.15 1.6931 1 6 0 54.39 1.38 1.6868 -3 6 1 54.45 11.32 1.6851 3 -6 1 54.92 17.44 1.6719 0 -1 4 55.01 1.37 1.6693 2 -6 2 55.03 6.45 1.6688 -3 -3 2 55.12 1.83 1.6663 -4 0 2 55.17 1.06 1.6648 -4 5 0 55.57 8.02 1.6538 1 -5 3 56.21 2.39 1.6365 0 -2 4 57.39 7.44 1.6056 1 6 1 57.41 1.10 1.6050 2 5 1 57.59 3.07 1.6004 0 7 0 57.77 11.47 1.5960 -4 -1 2 57.97 2.96 1.5908 1 -2 4 58.11 6.04 1.5874 -3 -2 3 58.23 1.32 1.5844 0 -7 1 58.35 8.66 1.5815 3 -3 3 58.46 3.91 1.5788 0 6 2 58.53 3.85 1.5770 -2 1 4 59.81 1.89 1.5463 -3 6 2 59.92 5.40 1.5436 3 -6 2 59.93 1.17 1.5434 -4 6 0 60.60 7.34 1.5280 4 0 2 61.13 2.76 1.5160 -1 3 4 61.17 1.70 1.5151 -3 7 1 61.32 3.56 1.5117 -4 6 1 61.59 1.41 1.5058 -4 -2 2 61.67 2.78 1.5041 -4 2 3 61.82 1.60 1.5007 2 -7 2 62.15 1.39 1.4935 -5 1 0 62.36 1.73 1.4891 0 -7 2 62.47 1.45 1.4867 0 -4 4 62.85 10.61 1.4787 -3 5 3 63.76 3.86 1.4597 -1 7 2 63.80 2.13 1.4589 -5 4 1 64.05 1.36 1.4538 -3 1 4 64.13 4.50 1.4522 2 5 2 64.27 1.73 1.4493 5 0 0 64.36 3.10 1.4476 -5 0 1 64.44 1.82 1.4459 -3 0 4 64.71 2.04 1.4406 1 -8 1 64.80 1.16 1.4388 -1 -4 4 64.97 4.72 1.4353 -4 -1 3 65.32 2.65 1.4286 -2 -3 4 65.68 1.33 1.4217 -4 7 0 65.76 16.71 1.4201 5 -4 1 65.81 6.59 1.4191 -2 -6 2 65.98 16.66 1.4158 2 1 4 66.05 1.77 1.4145 -5 3 2 66.22 3.39 1.4113 -2 8 1 66.73 1.36 1.4018 0 7 2 67.27 10.23 1.3919 1 -5 4 67.28 2.15 1.3916 3 4 2 67.45 1.00 1.3886 0 4 4 67.64 2.56 1.3851 -3 -5 2 67.95 1.78 1.3795 0 6 3 68.77 2.07 1.3650 1 -8 2 69.41 1.11 1.3541 4 -4 3 69.50 2.41 1.3525 4 4 0 69.74 1.71 1.3485 2 -7 3 69.87 1.63 1.3462 -2 -4 4 70.69 3.64 1.3327 3 -3 4 71.62 3.02 1.3176 5 -4 2 71.95 1.55 1.3124 3 0 4 72.31 1.55 1.3068 -4 -4 2 72.36 1.59 1.3059 -5 2 3 72.38 1.43 1.3057 1 7 2 72.44 1.03 1.3046 -2 -6 3 72.72 3.67 1.3003 -1 7 3 73.09 5.97 1.2947 -5 3 3 73.67 2.10 1.2859 -1 -7 3 74.07 2.50 1.2800 -2 -7 2 74.72 2.39 1.2704 2 -6 4 74.96 1.45 1.2670 -4 -1 4 75.56 1.52 1.2584 -6 3 1 75.57 1.11 1.2582 -5 7 1 76.61 3.05 1.2438 -6 4 1 76.65 1.81 1.2432 4 5 0 76.98 1.78 1.2386 -3 9 1 77.82 1.53 1.2274 -3 1 5 78.29 5.55 1.2212 1 5 4 80.68 2.10 1.1909 5 3 1 81.08 2.30 1.1861 4 -4 4 83.27 2.65 1.1604 -1 -7 4 84.72 1.43 1.1441 2 -9 3 86.97 1.11 1.1203 0 10 0 87.31 1.08 1.1168 -1 -1 6 87.90 1.23 1.1107 -3 5 5 88.58 1.21 1.1040 -1 -2 6 89.28 1.82 1.0972 -2 0 6 89.50 4.10 1.0950 4 -10 1 89.90 1.40 1.0912 0 10 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.