Manganoeudialyte Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120046 Nomura S F, Atencio D, Chukanov N V, Rastsvetaeva R K, Coutinho J M V, Karipidis T K Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 139 (2010) 35-47 Manganoeudialyte - a new mineral from Pocos de Caldas, Minas Gerais, Brazil Locality: Pocos de Caldas massif, Minas Gerais, Brazil _database_code_amcsd 0017801 CELL PARAMETERS: 14.2430 14.2430 30.1310 90.000 90.000 120.000 SPACE GROUP: R3m ATOM X Y Z OCCUPANCY ISO(B) Zr 0.33250 0.16630 0.16680 1.000 1.050 Ca -0.00010 0.26010 0.00000 1.000 0.650 Si 0.52600 0.26300 0.25140 1.000 0.470 Si -0.00560 0.60360 0.09760 1.000 0.590 Si 0.20810 0.41620 0.07700 1.000 0.830 Si 0.08270 0.54130 0.25850 1.000 1.070 Si 0.05700 0.32670 0.23690 1.000 0.780 Si 0.14040 0.07020 0.08260 1.000 0.770 O 0.47900 0.23950 0.20060 1.000 1.400 O 0.26000 0.03340 0.20850 1.000 1.300 O 0.40610 0.30470 0.12750 1.000 2.200 O 0.60520 0.39480 0.25620 1.000 1.300 O 0.43520 0.21710 0.28840 1.000 0.800 O 0.41140 0.03380 0.04530 1.000 1.500 O 0.10110 0.37950 0.10760 1.000 1.400 O 0.02070 0.51030 0.11500 1.000 1.000 O 0.27400 0.54800 0.06850 1.000 4.500 O 0.18090 0.36190 0.02870 1.000 0.800 O 0.02820 0.51410 0.30520 1.000 1.500 O 0.17650 0.35390 0.21840 1.000 1.700 O 0.04430 0.30010 0.28850 1.000 0.700 O 0.38710 0.43210 0.22710 1.000 2.200 O 0.39520 0.60480 0.25260 1.000 2.200 O 0.06180 0.12370 0.07820 1.000 1.200 O 0.18910 0.09460 0.13120 1.000 1.600 O 0.22600 0.11300 0.04330 1.000 1.400 Mn 0.49280 0.50700 0.00170 0.520 1.000 Fe 0.52000 0.48000 -0.00230 0.400 0.670 Na 0.13400 0.26800 0.33400 0.080 0.700 Si 0.33333 0.66667 0.24540 0.380 1.100 Al 0.33333 0.66667 0.28390 0.250 3.400 Nb 0.33333 0.66667 0.29660 0.290 0.940 Zr 0.33333 0.66667 0.29660 0.080 0.940 Ti 0.33333 0.66667 0.04290 0.190 1.500 Si 0.33333 0.66667 0.05180 0.370 2.700 Si 0.33333 0.66667 0.09000 0.440 0.400 Na 0.11280 0.22560 0.15230 0.790 2.300 Na 0.09250 0.18500 0.16200 0.210 2.400 Na 0.58390 0.41630 0.16380 0.400 3.500 Na 0.55850 0.44150 0.17850 0.600 1.900 Na 0.23580 0.47160 -0.04430 0.230 1.000 K 0.23580 0.47160 -0.04430 0.130 1.000 Na 0.22200 0.11060 0.28370 0.640 1.900 Na 0.42920 0.21500 0.05690 0.360 1.200 Sr 0.46530 0.23270 0.04940 0.270 0.950 Ce 0.46530 0.23270 0.04940 0.020 0.950 Na 0.48500 0.24260 0.04500 0.350 2.000 H 0.25120 0.50200 0.17330 0.230 4.700 Na 0.18970 0.59490 0.14600 0.400 2.800 C 0.66667 0.33333 0.10080 0.480 2.100 C 0.00000 0.00000 0.24010 0.400 4.700 F 0.66667 0.33333 0.03600 0.130 1.820 OH 0.33333 0.66667 0.14260 0.440 1.100 OH 0.33333 0.66667 0.19600 0.380 3.600 OH 0.33333 0.66667 -0.00450 0.370 9.000 OH 0.33333 0.66667 0.34100 0.250 3.600 Wa 0.24000 0.62000 0.00090 0.400 6.900 Wa 0.24000 0.62000 0.00090 0.200 6.900 Wa 0.60200 0.20400 -0.00390 0.520 2.200 Wa 0.60200 0.20400 -0.00390 0.400 2.200 Wa 0.66667 0.33333 0.12300 0.360 8.500 Wa 0.00000 0.00000 0.25200 0.430 2.600 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 27 MAX. ABS. INTENSITY / VOLUME**2: 7.099281883 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.74 15.47 11.4153 1 0 1 8.80 11.46 10.0437 0 0 3 9.27 2.40 9.5440 0 1 2 12.43 65.27 7.1215 1 1 0 13.77 25.92 6.4288 1 0 4 14.66 18.81 6.0421 0 2 1 15.25 3.69 5.8093 1 1 3 15.53 56.62 5.7077 2 0 2 16.37 2.41 5.4146 0 1 5 17.66 6.21 5.0218 0 0 6 18.59 1.55 4.7720 0 2 4 19.26 3.45 4.6073 2 1 1 20.61 35.14 4.3102 2 0 5 21.65 14.27 4.1041 1 1 6 21.87 7.26 4.0641 1 0 7 22.43 18.49 3.9643 2 1 4 23.38 15.02 3.8051 3 0 3 24.14 6.66 3.6874 1 2 5 24.72 19.21 3.6022 0 1 8 25.01 38.08 3.5608 2 2 0 25.23 19.90 3.5298 0 2 7 26.22 62.32 3.3992 1 3 1 26.56 4.24 3.3561 2 2 3 26.72 10.29 3.3361 3 1 2 27.75 52.91 3.2144 2 0 8 28.05 5.81 3.1813 0 3 6 28.05 4.56 3.1813 3 0 6 28.22 27.74 3.1626 2 1 7 28.66 1.66 3.1149 1 3 4 29.48 15.85 3.0298 1 1 9 29.57 10.74 3.0211 0 4 2 30.04 100.00 2.9751 3 1 5 30.51 13.10 2.9298 1 2 8 30.78 18.17 2.9047 2 2 6 31.34 90.14 2.8538 4 0 4 32.19 2.25 2.7812 2 3 2 32.62 1.32 2.7452 0 4 5 33.09 20.04 2.7073 0 2 10 33.29 9.62 2.6917 4 1 0 33.46 12.78 2.6782 1 3 7 33.51 1.04 2.6740 0 1 11 33.84 7.06 2.6490 3 2 4 34.50 1.23 2.5999 4 1 3 34.55 30.13 2.5961 0 3 9 34.55 5.01 2.5961 3 0 9 35.45 4.24 2.5324 3 1 8 35.47 5.95 2.5306 2 1 10 35.76 3.78 2.5109 0 0 12 36.55 11.21 2.4587 0 5 1 36.85 2.16 2.4391 2 2 9 37.70 9.44 2.3860 0 4 8 37.90 8.56 2.3738 3 3 0 37.93 5.25 2.3724 1 4 6 37.93 1.38 2.3724 4 1 6 38.10 1.15 2.3617 1 2 11 38.74 7.77 2.3241 2 4 1 38.99 3.48 2.3102 3 3 3 39.10 2.40 2.3036 4 2 2 39.56 1.19 2.2779 1 0 13 39.85 6.03 2.2624 2 3 8 39.87 1.93 2.2611 1 3 10 40.84 5.67 2.2094 5 1 1 41.19 8.93 2.1918 1 5 2 41.54 8.77 2.1741 4 2 5 41.92 19.22 2.1551 4 0 10 42.10 3.43 2.1461 3 3 6 42.22 3.33 2.1404 0 5 7 42.27 7.04 2.1382 3 1 11 42.53 10.76 2.1254 5 1 4 42.64 5.87 2.1202 0 1 14 43.12 1.63 2.0978 1 4 9 43.52 4.02 2.0793 1 5 5 43.87 1.56 2.0637 5 0 8 43.89 7.92 2.0627 3 2 10 44.13 2.84 2.0520 2 2 12 44.18 7.29 2.0498 2 4 7 44.79 3.88 2.0233 4 3 1 45.01 4.78 2.0140 0 6 3 45.11 2.10 2.0097 3 4 2 45.78 19.06 1.9821 4 2 8 46.08 1.55 1.9698 5 1 7 46.37 3.10 1.9581 4 3 4 46.47 1.29 1.9540 1 2 14 46.88 1.10 1.9380 2 5 3 46.92 13.13 1.9364 3 3 9 47.00 2.18 1.9333 1 1 15 47.38 4.27 1.9189 1 3 13 47.62 1.23 1.9096 1 5 8 47.81 9.75 1.9026 6 0 6 47.81 3.14 1.9026 0 6 6 48.49 3.70 1.8774 1 6 1 48.79 1.35 1.8665 6 1 2 48.93 3.27 1.8616 1 0 16 49.43 5.08 1.8437 2 4 10 49.60 7.54 1.8381 2 5 6 49.60 1.57 1.8381 5 2 6 49.65 2.78 1.8361 1 4 12 49.65 3.47 1.8361 4 1 12 49.70 3.72 1.8345 4 3 7 49.98 1.80 1.8250 1 6 4 50.57 2.22 1.8049 0 3 15 50.68 3.12 1.8011 0 2 16 50.85 1.88 1.7956 6 1 5 50.93 2.39 1.7931 3 2 13 51.16 1.14 1.7855 3 4 8 51.18 4.07 1.7849 5 1 10 51.32 22.49 1.7804 4 4 0 51.48 6.58 1.7752 4 2 11 51.80 10.00 1.7649 0 4 14 51.98 2.76 1.7591 3 5 1 52.29 2.91 1.7495 2 2 15 53.09 3.08 1.7250 3 3 12 53.40 1.94 1.7158 3 5 4 53.40 2.79 1.7158 7 0 4 53.49 3.53 1.7131 2 3 14 53.67 1.45 1.7078 6 2 1 53.82 1.34 1.7035 2 0 17 53.95 6.99 1.6996 2 6 2 54.23 2.81 1.6913 0 7 5 54.70 12.00 1.6780 4 4 6 54.84 2.26 1.6739 0 0 18 55.05 1.32 1.6681 6 2 4 55.72 2.09 1.6498 1 3 16 55.87 8.44 1.6455 2 6 5 55.94 5.89 1.6436 2 4 13 56.47 5.09 1.6295 1 1 18 57.12 2.94 1.6126 1 7 3 57.22 1.10 1.6099 4 1 15 57.33 14.45 1.6072 4 0 16 57.76 1.02 1.5961 5 3 8 57.78 5.79 1.5956 1 6 10 57.98 1.07 1.5907 6 0 12 58.02 3.59 1.5896 6 2 7 58.36 3.96 1.5813 4 2 14 58.91 9.08 1.5678 3 2 16 59.48 4.63 1.5540 6 3 0 59.55 2.56 1.5524 5 2 12 59.83 3.77 1.5457 5 4 4 59.92 7.46 1.5437 1 5 14 60.09 1.06 1.5398 0 8 1 60.35 3.56 1.5338 8 0 2 60.68 2.15 1.5262 4 3 13 61.18 2.13 1.5149 2 2 18 61.38 1.76 1.5105 0 8 4 61.88 1.81 1.4995 7 2 2 62.00 2.64 1.4969 0 5 16 62.43 2.48 1.4875 6 2 10 62.57 1.35 1.4846 6 3 6 62.66 1.27 1.4827 5 4 7 62.69 6.45 1.4820 5 3 11 62.69 1.27 1.4820 0 7 11 62.89 1.73 1.4777 2 7 4 62.98 2.38 1.4759 3 4 14 63.51 4.52 1.4649 2 4 16 63.65 1.85 1.4619 7 2 5 63.92 1.20 1.4564 4 5 8 64.12 2.46 1.4523 4 4 12 64.80 1.12 1.4388 1 3 19 64.90 1.77 1.4367 6 0 15 65.06 1.81 1.4336 1 2 20 65.40 3.54 1.4269 8 0 8 65.54 4.04 1.4243 5 5 0 66.11 3.21 1.4133 4 6 1 66.36 3.00 1.4087 6 4 2 66.38 2.96 1.4084 2 5 15 66.61 4.02 1.4040 1 8 5 67.57 2.01 1.3863 7 3 1 67.93 1.32 1.3799 4 3 16 67.99 1.44 1.3788 3 1 20 68.34 5.69 1.3726 0 8 10 68.47 9.76 1.3703 5 5 6 68.56 1.57 1.3687 8 1 7 69.37 3.95 1.3547 0 3 21 69.43 5.41 1.3536 0 4 20 69.89 4.10 1.3458 8 2 0 69.99 2.85 1.3441 4 6 7 70.30 2.16 1.3391 2 6 14 70.61 1.77 1.3340 0 5 19 70.61 3.01 1.3339 8 2 3 70.80 1.98 1.3308 2 2 21 71.19 1.07 1.3245 6 4 8 72.74 1.21 1.3000 2 8 6 72.87 2.79 1.2981 0 6 18 73.51 2.20 1.2883 9 1 2 73.81 1.11 1.2837 0 8 13 74.02 1.16 1.2807 4 6 10 74.83 2.87 1.2688 4 7 3 74.86 1.47 1.2684 0 9 9 75.01 1.40 1.2662 6 2 16 75.77 2.10 1.2555 0 0 24 76.46 1.49 1.2458 1 5 20 76.97 1.32 1.2389 5 5 12 77.78 1.01 1.2279 3 3 21 78.15 1.20 1.2230 5 6 8 78.42 1.89 1.2195 4 4 18 78.81 2.50 1.2144 9 2 1 79.04 1.50 1.2114 2 9 2 79.28 2.91 1.2084 0 10 5 79.98 1.39 1.1995 1 0 25 80.90 2.29 1.1882 1 9 10 81.01 1.17 1.1869 6 6 0 81.35 1.73 1.1829 0 2 25 81.87 1.80 1.1766 0 6 21 82.87 1.59 1.1649 5 1 22 83.23 2.12 1.1608 2 5 21 84.91 1.40 1.1420 4 2 23 84.96 1.58 1.1415 10 0 10 85.19 1.39 1.1390 8 3 11 85.20 1.18 1.1390 2 0 26 85.20 1.65 1.1389 3 6 18 85.20 1.27 1.1389 6 3 18 86.31 1.82 1.1271 9 2 10 87.18 3.34 1.1181 8 2 15 87.18 1.69 1.1181 2 8 15 88.80 1.01 1.1018 3 8 13 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.