Pumpellyite-(Mn2+) Artioli G, Pavese A, Bellotto M, Collins S P, Lucchetti G American Mineralogist 81 (1996) 603-610 Mn crystal chemistry in pumpellyite: A resonant scattering powder diffraction Rietveld study using synchrotron radiation Sample: SN5 _database_code_amcsd 0001794 CELL PARAMETERS: 8.8330 5.9153 19.1009 90.000 97.154 90.000 SPACE GROUP: A2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 990.250 Density (g/cm3): 3.231 MAX. ABS. INTENSITY / VOLUME**2: 6.276263685 RIR: 0.632 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.09 2.81 8.7642 1 0 0 2 12.88 3.07 6.8752 -1 0 2 2 14.60 14.14 6.0685 1 0 2 2 18.37 8.67 4.8290 -1 1 1 4 18.73 16.06 4.7380 0 0 4 2 19.01 44.72 4.6685 1 1 1 4 20.16 4.51 4.4037 -1 0 4 2 20.26 12.89 4.3821 2 0 0 2 21.25 2.96 4.1807 -2 0 2 2 22.16 6.86 4.0111 -1 1 3 4 22.41 2.40 3.9664 1 0 4 2 23.40 43.39 3.8012 2 0 2 2 23.73 4.08 3.7489 1 1 3 4 25.26 2.88 3.5259 -2 1 1 4 25.92 6.98 3.4376 -2 0 4 2 26.20 3.39 3.4013 2 1 1 4 27.74 2.69 3.2156 -2 1 3 4 28.25 1.24 3.1587 0 0 6 2 28.75 4.18 3.1053 -1 1 5 4 29.44 10.63 3.0343 2 0 4 2 30.22 21.98 2.9576 0 2 0 2 30.27 7.29 2.9526 2 1 3 4 30.60 16.19 2.9214 3 0 0 2 30.81 100.00 2.9025 1 1 5 4 30.89 13.10 2.8951 -3 0 2 2 31.27 1.40 2.8601 1 0 6 2 31.69 8.46 2.8233 0 2 2 4 31.94 10.61 2.8024 1 2 0 4 32.82 39.06 2.7287 -2 0 6 2 32.94 3.22 2.7190 -2 1 5 4 32.97 8.19 2.7169 -1 2 2 4 33.20 2.36 2.6987 3 0 2 2 33.71 8.69 2.6587 1 2 2 4 33.99 1.72 2.6378 -3 0 4 2 34.02 45.28 2.6349 -3 1 1 4 35.10 4.38 2.5563 3 1 1 4 35.79 43.40 2.5089 0 2 4 4 36.53 3.91 2.4600 2 1 5 4 36.60 2.94 2.4553 -1 2 4 4 36.66 12.61 2.4515 2 2 0 4 36.79 30.83 2.4432 -1 1 7 4 37.24 3.67 2.4145 -2 2 2 4 37.95 1.09 2.3710 1 2 4 4 38.09 1.71 2.3623 -1 0 8 2 38.57 24.67 2.3343 2 2 2 4 38.65 14.23 2.3294 3 1 3 4 39.11 1.22 2.3032 1 1 7 4 39.58 8.29 2.2771 -3 1 5 4 40.22 5.56 2.2420 -2 2 4 4 40.67 1.59 2.2184 1 0 8 2 40.99 25.27 2.2019 -2 0 8 2 41.11 10.69 2.1956 -4 0 2 2 41.20 3.99 2.1911 4 0 0 2 41.84 16.58 2.1590 0 2 6 4 42.25 4.09 2.1390 -1 2 6 4 42.69 23.10 2.1179 2 2 4 4 43.28 6.71 2.0904 -4 0 4 2 43.54 4.73 2.0787 4 0 2 2 43.54 3.06 2.0784 3 2 0 4 43.75 2.92 2.0689 -3 2 2 4 43.76 5.04 2.0687 -4 1 1 4 44.04 1.99 2.0560 1 2 6 4 44.17 2.37 2.0505 3 1 5 4 45.21 8.99 2.0055 -2 2 6 4 45.41 4.99 1.9973 -3 1 7 4 47.46 5.36 1.9155 -4 0 6 2 47.65 3.88 1.9086 1 3 1 4 47.83 2.30 1.9018 -4 1 5 4 48.00 2.31 1.8952 0 0 10 2 48.14 3.57 1.8901 4 1 3 4 48.21 1.23 1.8878 1 1 9 4 48.57 7.51 1.8744 2 2 6 4 49.28 14.90 1.8490 0 2 8 4 49.37 1.85 1.8458 -1 2 8 4 49.42 2.95 1.8442 3 2 4 4 52.69 4.38 1.7373 -4 1 7 4 52.69 1.78 1.7373 3 0 8 2 53.13 3.99 1.7240 4 1 5 4 53.69 8.08 1.7070 -4 2 4 4 53.71 1.05 1.7066 2 3 3 4 53.81 4.23 1.7037 4 0 6 2 53.91 1.32 1.7007 4 2 2 4 54.04 7.25 1.6968 1 3 5 4 54.32 1.66 1.6889 -3 0 10 2 54.40 1.65 1.6865 5 0 2 2 54.82 4.85 1.6746 -5 1 3 4 55.14 5.61 1.6656 2 0 10 2 55.27 6.10 1.6621 -1 1 11 4 56.15 11.74 1.6381 -3 3 1 4 57.65 39.00 1.5989 4 2 4 4 57.78 2.32 1.5957 0 2 10 4 58.05 2.62 1.5888 -1 3 7 4 58.36 1.13 1.5811 5 0 4 2 58.43 13.05 1.5793 0 0 12 2 59.03 1.82 1.5648 -4 1 9 4 59.39 1.17 1.5562 3 3 3 4 59.54 15.20 1.5527 -2 2 10 4 59.58 1.70 1.5518 4 1 7 4 59.71 1.25 1.5486 -2 0 12 2 60.01 3.20 1.5417 1 2 10 4 60.07 2.56 1.5403 -3 3 5 4 61.08 6.24 1.5171 4 0 8 2 61.19 1.76 1.5146 -5 2 2 4 61.49 1.61 1.5079 5 2 0 4 61.55 1.78 1.5066 3 0 10 2 62.50 19.97 1.4861 -4 2 8 4 62.62 1.88 1.4836 -5 2 4 4 62.84 26.33 1.4788 0 4 0 2 64.17 7.01 1.4513 2 2 10 4 65.51 1.01 1.4248 -1 1 13 4 65.90 2.17 1.4173 6 0 2 2 66.83 2.51 1.3999 -1 2 12 4 67.17 1.51 1.3936 -6 0 6 2 68.02 1.95 1.3782 2 4 2 4 68.81 4.71 1.3643 -4 0 12 2 70.31 2.73 1.3390 -3 1 13 4 70.46 1.74 1.3364 -4 3 7 4 70.83 1.66 1.3303 4 3 5 4 71.51 1.54 1.3194 3 4 0 4 71.63 5.08 1.3175 -6 2 2 4 71.66 1.29 1.3170 -3 4 2 4 72.26 1.78 1.3074 5 2 6 4 72.28 3.32 1.3072 -5 3 3 4 72.66 2.74 1.3012 -1 3 11 4 72.73 6.77 1.3002 -6 2 4 4 72.73 4.70 1.3002 -2 4 6 4 74.19 2.03 1.2781 6 2 2 4 76.14 3.36 1.2503 2 0 14 2 76.38 1.50 1.2469 -5 2 10 4 76.54 1.14 1.2446 -1 1 15 4 76.65 1.96 1.2432 5 1 9 4 77.55 2.54 1.2309 0 2 14 4 77.80 3.29 1.2276 -2 4 8 4 79.37 1.06 1.2073 -4 4 4 4 86.26 2.08 1.1277 -3 3 13 4 87.31 1.11 1.1168 4 4 6 4 87.50 3.40 1.1148 1 5 5 4 88.39 1.50 1.1058 2 4 10 4 89.03 2.03 1.0996 0 2 16 4 89.21 1.24 1.0978 -8 0 4 2 89.89 1.20 1.0913 3 1 15 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.