Turtmannite Brugger J, Armbruster T, Meisser N, Hejny C, Grobety B American Mineralogist 86 (2001) 1494-1505 Description and crystal structure of turtmannite, a new mineral with a 68 Angstrom period related to mcgovernite Note: z-coordinate of Mn12 has been modified _database_code_amcsd 0002747 CELL PARAMETERS: 8.2590 8.2590 204.3000 90.000 90.000 120.000 SPACE GROUP: R-3c X-RAY WAVELENGTH: 1.541838 Cell Volume: 12068.518 Density (g/cm3): 3.697 MAX. ABS. INTENSITY / VOLUME**2: 20.32495089 RIR: 1.790 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 2.59 100.00 34.0500 0 0 6 2 5.19 1.62 17.0250 0 0 12 2 12.85 2.10 6.8875 0 1 8 6 14.19 4.48 6.2402 1 0 16 6 15.61 3.66 5.6750 0 0 36 2 15.64 2.38 5.6665 1 0 22 6 17.36 2.99 5.1077 1 0 28 6 18.63 1.12 4.7629 0 1 32 6 20.67 4.45 4.2976 0 1 38 6 20.87 1.25 4.2562 0 0 48 2 21.52 12.00 4.1295 1 1 0 6 21.88 1.38 4.0628 1 1 9 12 22.50 4.32 3.9519 1 1 15 12 23.40 4.00 3.8012 1 1 21 12 24.56 2.86 3.6248 1 1 27 12 24.96 1.31 3.5675 0 2 4 6 25.10 3.58 3.5479 0 1 50 6 25.87 3.05 3.4435 1 0 52 6 25.94 15.61 3.4354 1 1 33 12 26.70 3.10 3.3391 1 1 36 12 27.40 1.65 3.2550 2 0 26 6 27.44 9.01 3.2499 0 1 56 6 27.50 12.49 3.2430 1 1 39 12 27.78 2.35 3.2113 0 2 28 6 28.24 2.66 3.1600 1 0 58 6 28.35 15.88 3.1481 1 1 42 12 29.06 4.46 3.0731 0 2 34 6 29.23 13.90 3.0548 1 1 45 12 29.85 3.50 2.9928 0 1 62 6 30.01 4.29 2.9777 2 0 38 6 30.51 17.23 2.9295 0 2 40 6 30.67 3.00 2.9150 1 0 64 6 31.10 19.85 2.8753 1 1 51 12 31.58 36.17 2.8333 2 0 44 6 32.13 7.50 2.7855 0 2 46 6 32.32 2.22 2.7700 0 1 68 6 33.09 1.21 2.7068 1 1 57 12 33.14 2.54 2.7032 2 1 1 12 33.15 3.85 2.7024 1 2 2 12 33.28 18.04 2.6919 2 1 7 12 33.44 2.66 2.6800 2 1 10 12 33.50 1.82 2.6752 1 2 11 12 33.72 4.30 2.6582 1 2 14 12 33.99 5.88 2.6375 1 2 17 12 34.20 1.93 2.6218 2 1 19 12 34.31 1.27 2.6134 1 2 20 12 34.56 1.26 2.5956 2 1 22 12 34.83 1.45 2.5756 0 1 74 6 35.10 2.70 2.5563 1 2 26 12 35.19 2.04 2.5504 1 1 63 12 35.41 2.67 2.5350 2 1 28 12 36.44 1.26 2.4654 2 1 34 12 36.96 3.40 2.4321 0 0 84 2 37.03 8.44 2.4280 2 1 37 12 37.23 10.73 2.4152 1 2 38 12 37.37 1.59 2.4063 1 1 69 12 37.65 17.21 2.3893 2 1 40 12 37.73 8.36 2.3842 3 0 0 6 37.86 13.61 2.3762 1 2 41 12 38.31 2.52 2.3497 2 1 43 12 38.54 2.35 2.3363 1 2 44 12 39.24 3.94 2.2956 1 2 47 12 39.71 2.40 2.2700 0 0 90 2 39.99 1.66 2.2546 1 2 50 12 40.07 1.47 2.2502 0 3 30 6 40.77 2.59 2.2133 1 2 53 12 40.80 2.30 2.2118 1 1 78 12 41.30 1.24 2.1858 2 1 55 12 42.21 2.50 2.1408 0 3 42 6 42.21 1.89 2.1408 3 0 42 6 42.42 1.85 2.1309 1 2 59 12 44.19 3.87 2.0496 1 2 65 12 44.80 3.82 2.0229 2 1 67 12 44.94 1.31 2.0171 3 0 54 6 45.12 1.98 2.0096 1 2 68 12 46.72 1.98 1.9444 2 1 73 12 47.86 1.34 1.9006 2 2 42 12 48.05 7.18 1.8936 1 2 77 12 48.78 3.26 1.8669 1 3 37 12 49.77 2.24 1.8321 2 1 82 12 50.12 4.57 1.8200 1 2 83 12 50.58 2.14 1.8047 3 1 47 12 50.83 2.49 1.7963 2 1 85 12 51.19 2.47 1.7845 1 2 86 12 51.61 1.19 1.7708 1 3 52 12 51.83 1.03 1.7639 3 1 53 12 52.51 1.16 1.7428 3 1 56 12 53.02 10.04 1.7271 2 1 91 12 53.85 1.41 1.7026 0 3 84 6 53.85 2.49 1.7026 3 0 84 6 54.05 1.47 1.6967 0 4 38 6 54.15 3.52 1.6939 2 1 94 12 54.53 2.79 1.6830 1 2 95 12 55.03 1.21 1.6687 0 4 44 6 55.29 1.03 1.6615 2 1 97 12 55.39 1.21 1.6587 4 0 46 6 55.68 6.42 1.6509 1 2 98 12 56.14 2.91 1.6383 3 2 7 12 56.46 3.29 1.6299 2 1 100 12 56.55 1.19 1.6275 4 0 52 6 56.85 5.44 1.6196 1 2 101 12 57.39 1.14 1.6056 0 4 56 6 57.64 1.79 1.5992 2 1 103 12 58.04 1.41 1.5892 1 2 104 12 58.70 2.62 1.5729 3 2 37 12 58.84 1.74 1.5694 2 1 106 12 59.14 2.89 1.5623 3 2 40 12 59.20 25.19 1.5608 4 1 0 12 59.21 4.03 1.5604 1 4 3 12 59.21 5.60 1.5604 4 1 3 12 59.77 3.93 1.5471 2 3 44 12 60.11 1.27 1.5392 3 2 46 12 60.29 2.81 1.5352 2 3 47 12 61.31 2.51 1.5121 2 1 112 12 62.85 1.34 1.4787 1 1 129 12 63.84 1.16 1.4580 2 1 118 12 63.87 1.57 1.4575 2 0 128 6 65.71 2.07 1.4209 1 1 135 12 66.26 1.04 1.4105 1 0 142 6 68.24 2.53 1.3744 1 2 128 12 71.87 1.22 1.3136 1 4 84 12 77.02 1.37 1.2381 1 5 44 12 78.68 1.53 1.2161 0 0 168 2 85.65 1.73 1.1342 4 2 98 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.