Ferronigerite-2N1S Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120083 Arakcheeva A V, Pushcharovskii D Y, Rastsvetaeva R K, Kashaev A A, Nadezhina T N Kristallografiya 40 (1995) 639-644 Crystal structure of nigerite-6H Locality: Eastern Siberia, Irkutsk, Russia _database_code_amcsd 0018796 CELL PARAMETERS: 5.7030 5.7030 13.7810 90.000 90.000 120.000 SPACE GROUP: P-3m1 ATOM X Y Z OCCUPANCY ISO(B) Al 0.00000 0.00000 0.50000 1.000 0.350 Al 0.16910 0.33770 0.33060 1.000 0.360 Al 0.66667 0.33333 0.45380 0.200 0.510 Fe 0.66667 0.33333 0.45380 0.440 0.510 Zn 0.66667 0.33333 0.45380 0.360 0.510 Al 0.00000 0.00000 0.12350 0.610 0.420 Fe 0.00000 0.00000 0.12350 0.390 0.420 Al 0.50000 0.00000 0.00000 0.750 0.610 Sn 0.66667 0.33333 0.18720 1.000 0.400 O 0.29380 0.14710 0.41280 1.000 0.640 O 0.33333 0.66667 0.40270 1.000 0.520 O 0.00000 0.00000 0.25920 1.000 0.430 O 0.01210 0.50610 0.26040 1.000 0.520 O 0.33333 0.66667 0.07010 1.000 0.620 O 0.35180 0.17590 0.08460 1.000 0.990 H 0.33333 0.66667 0.14000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 58.23551929 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.41 100.00 13.7810 0 0 1 12.85 7.70 6.8905 0 0 2 19.09 3.81 4.6494 1 0 1 19.09 25.54 4.6494 0 1 1 19.32 1.57 4.5937 0 0 3 22.14 8.83 4.0143 0 1 2 22.14 20.86 4.0143 1 0 2 25.86 3.31 3.4453 0 0 4 26.50 1.24 3.3637 0 1 3 26.50 4.33 3.3637 1 0 3 31.37 19.48 2.8515 1 1 0 31.66 57.94 2.8257 1 0 4 31.66 13.45 2.8257 0 1 4 32.05 1.91 2.7924 1 1 1 36.38 6.15 2.4695 2 0 0 36.98 33.66 2.4308 0 2 1 36.98 1.44 2.4308 2 0 1 37.11 61.60 2.4227 1 1 3 37.36 1.11 2.4068 1 0 5 37.36 10.73 2.4068 0 1 5 41.52 9.73 2.1751 0 2 3 41.52 7.04 2.1751 2 0 3 45.17 5.04 2.0071 0 2 4 45.17 4.77 2.0071 2 0 4 45.79 3.18 1.9818 1 1 5 49.26 2.39 1.8499 1 2 1 49.26 4.09 1.8499 2 1 1 49.56 10.24 1.8392 0 2 5 49.56 2.34 1.8392 2 0 5 49.86 2.57 1.8288 1 0 7 50.66 1.42 1.8018 1 2 2 50.66 1.43 1.8018 2 1 2 52.95 1.54 1.7294 2 1 3 53.17 1.85 1.7226 0 0 8 55.84 3.13 1.6463 3 0 0 56.03 7.11 1.6413 1 2 4 56.03 20.00 1.6413 2 1 4 56.58 1.44 1.6265 1 0 8 56.58 1.41 1.6265 0 1 8 59.66 9.18 1.5498 0 3 3 59.66 5.30 1.5498 3 0 3 59.84 8.96 1.5456 1 2 5 59.84 1.82 1.5456 2 1 5 60.11 21.49 1.5394 0 2 7 60.11 6.57 1.5394 2 0 7 63.05 1.18 1.4745 1 1 8 63.62 1.19 1.4625 0 1 9 65.46 30.11 1.4258 2 2 0 66.14 17.58 1.4128 2 0 8 69.38 1.24 1.3546 1 2 7 70.03 1.59 1.3435 1 3 2 71.01 1.02 1.3274 1 0 10 74.55 1.95 1.2729 3 1 4 74.55 6.97 1.2729 1 3 4 75.03 1.67 1.2660 2 1 8 77.64 3.89 1.2298 4 0 1 77.87 2.25 1.2267 3 1 5 78.82 2.55 1.2144 0 1 11 79.05 1.63 1.2113 2 2 6 81.26 1.54 1.1839 1 2 9 84.46 1.87 1.1470 1 1 11 86.34 1.41 1.1268 4 0 5 87.13 1.11 1.1186 1 0 12 88.11 1.25 1.1087 2 1 10 89.16 2.16 1.0983 2 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.