Mangan-neptunite Zolotarev A A, Krivovichev S V, Yakovenchuk V N Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 136 (2007) 118-123 Refinement of the mangan-neptunite structure Locality: synthetic Note: changed signs of z-coordinates of O12 and O14, Ti1(y) to .32364 _database_code_amcsd 0015716 CELL PARAMETERS: 16.4821 12.5195 10.0292 90.000 115.474 90.000 SPACE GROUP: Cc X-RAY WAVELENGTH: 1.541838 Cell Volume: 1868.306 Density (g/cm3): 3.228 MAX. ABS. INTENSITY / VOLUME**2: 7.346237367 RIR: 0.741 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.23 100.00 9.5797 1 1 0 2 11.44 39.93 7.7359 -1 1 1 2 15.21 12.74 5.8242 1 1 1 2 18.40 4.48 4.8216 -2 2 1 2 18.52 4.43 4.7899 2 2 0 2 19.23 7.20 4.6166 -1 1 2 2 19.61 29.99 4.5271 0 0 2 1 22.12 3.04 4.0181 1 3 0 2 22.99 4.29 3.8679 -2 2 2 2 23.15 20.49 3.8419 -1 3 1 2 23.29 1.24 3.8193 2 2 1 2 23.53 2.00 3.7802 -4 0 2 1 23.92 5.75 3.7199 4 0 0 1 24.26 1.04 3.6683 0 2 2 2 25.27 65.03 3.5241 1 3 1 2 26.91 26.35 3.3129 -3 3 1 2 27.93 53.55 3.1950 -1 3 2 2 27.94 37.74 3.1932 3 3 0 2 28.16 4.33 3.1691 -5 1 1 2 28.44 1.17 3.1384 -1 1 3 2 28.82 28.57 3.0973 -5 1 2 2 29.43 14.61 3.0351 -3 3 2 2 30.21 6.26 2.9581 0 4 1 2 30.32 60.38 2.9480 -2 2 3 2 30.70 35.29 2.9121 2 2 2 2 30.88 30.98 2.8953 5 1 0 2 31.44 48.57 2.8455 1 3 2 2 32.20 11.17 2.7797 3 3 1 2 32.70 29.18 2.7389 -5 1 3 2 32.80 5.69 2.7304 3 1 2 2 32.88 1.93 2.7240 -6 0 2 1 33.51 1.05 2.6742 1 1 3 2 33.95 3.05 2.6407 -2 4 2 2 34.79 3.86 2.5786 -3 3 3 2 35.05 17.29 2.5602 -1 3 3 2 35.96 26.88 2.4977 -6 2 2 2 36.04 1.64 2.4922 -4 4 1 2 36.15 26.35 2.4845 -6 2 1 2 36.32 16.12 2.4737 5 1 1 2 36.53 1.04 2.4597 -4 0 4 1 36.57 2.44 2.4575 -3 1 4 2 37.05 1.51 2.4266 -1 5 1 2 37.30 7.74 2.4108 -4 4 2 2 37.56 3.05 2.3949 4 4 0 2 38.24 8.43 2.3536 -1 1 4 2 38.47 2.23 2.3402 1 5 1 2 38.66 1.72 2.3291 -5 3 3 2 38.92 3.09 2.3139 -5 1 4 2 38.96 11.10 2.3119 -7 1 2 2 39.02 1.65 2.3083 -2 2 4 2 39.37 3.77 2.2889 1 3 3 2 39.45 1.05 2.2844 -2 4 3 2 39.45 1.93 2.2841 2 2 3 2 39.61 1.54 2.2751 -3 5 1 2 39.82 1.75 2.2635 0 0 4 1 39.83 7.04 2.2634 -7 1 1 2 40.34 2.55 2.2358 -1 5 2 2 40.69 7.01 2.2173 -7 1 3 2 40.81 1.04 2.2112 -6 0 4 1 41.44 1.14 2.1789 -3 5 2 2 41.57 38.18 2.1725 0 4 3 2 41.82 4.72 2.1603 3 1 3 2 41.83 1.50 2.1594 5 3 1 2 42.96 3.84 2.1055 1 5 2 2 43.17 4.88 2.0957 7 1 0 2 43.40 13.64 2.0849 -6 2 4 2 43.55 3.37 2.0781 -1 3 4 2 43.56 10.17 2.0779 1 1 4 2 43.59 2.32 2.0764 5 1 2 2 43.96 15.02 2.0598 -8 0 2 1 44.17 1.52 2.0506 -5 3 4 2 44.25 9.21 2.0471 6 2 1 2 45.07 4.31 2.0114 -2 6 1 2 45.13 7.47 2.0091 2 6 0 2 45.60 4.58 1.9893 -5 5 1 2 45.79 4.53 1.9817 -1 5 3 2 45.94 2.75 1.9756 -3 1 5 2 46.05 2.95 1.9712 -5 5 2 2 46.70 1.87 1.9451 2 0 4 1 46.73 1.63 1.9439 -5 1 5 2 47.32 12.66 1.9209 -2 6 2 2 47.48 12.26 1.9149 2 6 1 2 48.03 2.27 1.8941 7 3 0 2 48.39 1.44 1.8809 1 3 4 2 48.51 4.63 1.8767 -1 1 5 2 48.58 3.86 1.8742 -2 2 5 2 49.32 1.58 1.8476 1 5 3 2 49.52 1.86 1.8407 -7 3 4 2 50.49 2.87 1.8075 -9 1 2 2 50.60 1.08 1.8041 -3 3 5 2 51.60 1.29 1.7714 -3 5 4 2 51.61 2.28 1.7710 3 1 4 2 51.64 3.83 1.7699 -2 6 3 2 51.89 7.84 1.7620 2 6 2 2 52.13 1.99 1.7545 5 1 3 2 52.61 1.35 1.7395 0 2 5 2 54.08 2.29 1.6959 -8 4 3 2 54.08 2.96 1.6957 1 1 5 2 54.13 2.63 1.6944 -7 5 1 2 54.40 5.82 1.6864 -4 4 5 2 54.46 2.09 1.6849 -8 4 1 2 54.81 2.57 1.6748 -7 5 3 2 54.95 2.24 1.6709 -4 0 6 1 55.12 3.18 1.6662 -7 3 5 2 55.17 4.18 1.6649 4 4 3 2 55.42 2.72 1.6580 -3 7 2 2 55.47 2.16 1.6565 -6 6 2 2 55.61 2.96 1.6526 -6 6 1 2 55.72 6.38 1.6498 3 5 3 2 55.92 2.31 1.6443 3 3 4 2 56.81 6.63 1.6205 7 5 0 2 57.12 1.23 1.6124 3 7 1 2 57.71 2.29 1.5975 -2 6 4 2 57.99 5.48 1.5903 -10 2 3 2 58.03 1.30 1.5894 2 6 3 2 58.14 4.65 1.5867 -7 5 4 2 58.15 1.65 1.5863 -6 2 6 2 58.22 4.99 1.5846 -10 2 2 2 58.26 3.82 1.5838 -7 1 6 2 58.81 5.52 1.5702 -3 7 3 2 58.92 2.07 1.5674 0 4 5 2 59.03 3.51 1.5649 0 8 0 2 59.11 2.90 1.5630 -3 5 5 2 59.30 4.36 1.5585 -1 1 6 2 59.38 1.70 1.5564 6 2 3 2 59.71 2.93 1.5487 -10 2 4 2 59.77 2.47 1.5472 -5 5 5 2 60.13 1.01 1.5389 -3 3 6 2 60.38 4.22 1.5330 -10 2 1 2 61.33 5.55 1.5115 7 5 1 2 61.44 9.13 1.5090 0 0 6 1 61.54 1.34 1.5069 3 7 2 2 61.56 19.67 1.5064 -8 4 5 2 62.39 1.13 1.4885 2 8 1 2 62.62 23.25 1.4834 8 4 1 2 62.83 1.83 1.4791 0 8 2 2 63.22 2.07 1.4707 -7 5 5 2 63.59 2.36 1.4631 -11 1 4 2 63.93 2.50 1.4562 7 1 3 2 63.94 4.14 1.4560 4 4 4 2 63.96 1.91 1.4556 3 5 4 2 64.21 1.44 1.4505 -8 6 3 2 65.23 1.26 1.4302 -2 6 5 2 65.37 2.57 1.4276 -9 5 4 2 65.57 1.32 1.4237 -7 7 2 2 65.62 2.54 1.4228 2 6 4 2 65.68 2.67 1.4216 -11 1 1 2 66.17 2.07 1.4122 -7 7 1 2 66.56 2.02 1.4049 -11 1 5 2 66.78 1.41 1.4008 -8 6 4 2 67.00 3.23 1.3968 -7 1 7 2 67.09 2.54 1.3952 -4 8 3 2 67.38 4.01 1.3899 -6 2 7 2 67.42 2.00 1.3890 4 8 1 2 67.55 1.93 1.3867 -5 5 6 2 67.64 7.62 1.3850 1 9 0 2 67.87 2.29 1.3810 -3 5 6 2 67.94 2.79 1.3797 9 5 0 2 68.07 3.80 1.3774 -1 9 1 2 68.72 1.96 1.3660 9 1 2 2 68.76 7.67 1.3652 6 2 4 2 69.01 2.69 1.3610 1 9 1 2 69.23 7.05 1.3571 -9 5 5 2 69.88 1.12 1.3461 -2 2 7 2 69.95 1.05 1.3449 11 1 0 2 70.73 1.11 1.3320 -7 3 7 2 71.02 1.62 1.3272 -9 1 7 2 72.11 1.01 1.3098 1 9 2 2 72.98 3.24 1.2964 9 5 1 2 74.21 2.13 1.2779 -9 7 2 2 74.37 1.05 1.2755 -5 9 2 2 74.46 2.65 1.2743 -9 7 3 2 74.51 1.28 1.2735 2 6 5 2 75.31 1.16 1.2619 -10 2 7 2 75.68 1.24 1.2567 -9 7 1 2 76.24 2.06 1.2489 -12 4 4 2 76.42 1.17 1.2463 -9 7 4 2 76.44 4.83 1.2461 -8 8 2 2 76.48 2.00 1.2455 -5 1 8 2 76.72 2.40 1.2422 -12 4 2 2 77.11 1.42 1.2369 10 2 2 2 77.16 2.02 1.2362 9 1 3 2 77.24 1.02 1.2351 -2 10 1 2 77.88 2.29 1.2266 4 0 6 1 78.04 2.21 1.2244 4 8 3 2 78.54 1.32 1.2179 -4 2 8 2 80.63 1.75 1.1915 1 3 7 2 83.57 1.68 1.1570 -10 2 8 2 85.67 2.00 1.1339 7 7 3 2 86.80 1.57 1.1220 -1 9 5 2 86.82 1.60 1.1218 1 7 6 2 86.88 1.64 1.1212 -6 10 3 2 88.47 2.06 1.1051 -7 7 7 2 89.23 1.61 1.0976 -8 8 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.