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: SN1 _database_code_amcsd 0001793 CELL PARAMETERS: 8.8510 5.9345 19.1247 90.000 96.969 90.000 SPACE GROUP: A2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 997.127 Density (g/cm3): 3.281 MAX. ABS. INTENSITY / VOLUME**2: 6.289838924 RIR: 0.624 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.32 1.78 9.4917 0 0 2 2 10.07 5.78 8.7856 1 0 0 2 12.87 4.02 6.8769 -1 0 2 2 14.55 14.11 6.0897 1 0 2 2 18.33 8.25 4.8410 -1 1 1 4 18.70 19.05 4.7459 0 0 4 2 18.95 43.98 4.6840 1 1 1 4 20.16 4.91 4.4051 -1 0 4 2 20.22 16.19 4.3928 2 0 0 2 21.23 1.43 4.1848 -2 0 2 2 22.13 7.52 4.0174 -1 1 3 4 22.35 3.22 3.9786 1 0 4 2 23.32 47.37 3.8141 2 0 2 2 23.66 4.42 3.7612 1 1 3 4 25.20 2.45 3.5337 -2 1 1 4 25.91 8.65 3.4385 -2 0 4 2 26.12 3.78 3.4119 2 1 1 4 27.71 2.44 3.2198 -2 1 3 4 28.71 4.55 3.1091 -1 1 5 4 29.33 12.00 3.0449 2 0 4 2 30.12 18.05 2.9673 0 2 0 2 30.16 6.35 2.9628 2 1 3 4 30.53 13.77 2.9285 3 0 0 2 30.71 100.00 2.9111 1 1 5 4 30.84 16.95 2.8992 -3 0 2 2 31.19 1.84 2.8679 1 0 6 2 31.59 10.91 2.8321 0 2 2 4 31.83 11.54 2.8112 1 2 0 4 32.82 46.10 2.7291 -2 0 6 2 32.87 6.86 2.7245 -1 2 2 4 32.91 3.14 2.7213 -2 1 5 4 33.09 2.25 2.7074 3 0 2 2 33.60 9.57 2.6674 1 2 2 4 33.95 48.06 2.6407 -3 1 1 4 33.96 1.16 2.6395 -3 0 4 2 35.00 3.70 2.5638 3 1 1 4 35.69 47.97 2.5160 0 2 4 4 36.40 3.23 2.4683 2 1 5 4 36.51 3.96 2.4610 -1 2 4 4 36.54 13.65 2.4589 2 2 0 4 36.74 28.65 2.4460 -1 1 7 4 37.14 5.14 2.4205 -2 2 2 4 37.82 1.92 2.3786 1 2 4 4 38.06 1.90 2.3642 -1 0 8 2 38.44 31.67 2.3420 2 2 2 4 38.52 12.43 2.3372 3 1 3 4 39.00 1.51 2.3094 1 1 7 4 39.30 1.09 2.2923 -3 0 6 2 39.54 10.06 2.2790 -3 1 5 4 40.14 4.32 2.2464 -2 2 4 4 40.56 1.90 2.2239 1 0 8 2 40.98 27.24 2.2025 -2 0 8 2 41.04 10.21 2.1993 -4 0 2 2 41.10 4.89 2.1964 4 0 0 2 41.73 15.29 2.1643 0 2 6 4 42.16 2.86 2.1432 -1 2 6 4 42.54 24.63 2.1251 2 2 4 4 43.24 8.20 2.0924 -4 0 4 2 43.40 3.32 2.0850 4 0 2 2 43.41 4.08 2.0843 3 2 0 4 43.65 2.15 2.0737 -3 2 2 4 43.66 4.51 2.0733 -4 1 1 4 43.91 2.13 2.0621 1 2 6 4 44.01 3.10 2.0576 3 1 5 4 45.14 7.39 2.0087 -2 2 6 4 45.38 5.00 1.9984 -3 1 7 4 47.44 5.74 1.9165 -4 0 6 2 47.48 4.32 1.9148 1 3 1 4 47.78 1.72 1.9036 -4 1 5 4 47.92 1.75 1.8983 0 0 10 2 47.98 3.75 1.8962 4 1 3 4 48.08 1.14 1.8925 1 1 9 4 48.40 7.91 1.8806 2 2 6 4 49.16 17.55 1.8532 0 2 8 4 49.24 2.63 1.8505 3 2 4 4 49.28 1.93 1.8490 -1 2 8 4 50.30 1.19 1.8140 -3 2 6 4 52.50 1.31 1.7431 3 0 8 2 52.65 4.69 1.7384 -4 1 7 4 52.93 4.01 1.7299 4 1 5 4 53.59 9.08 1.7100 -4 2 4 4 53.60 5.34 1.7097 4 0 6 2 53.73 1.47 1.7060 4 2 2 4 53.86 8.52 1.7021 1 3 5 4 54.31 1.44 1.6892 -3 0 10 2 54.72 4.45 1.6773 -5 1 3 4 54.97 4.41 1.6703 2 0 10 2 55.20 6.52 1.6641 -1 1 11 4 55.98 11.81 1.6427 -3 3 1 4 57.44 40.16 1.6043 4 2 4 4 57.65 3.49 1.5991 0 2 10 4 57.90 2.81 1.5925 -1 3 7 4 58.15 1.35 1.5863 5 0 4 2 58.33 14.05 1.5820 0 0 12 2 59.01 1.65 1.5654 -4 1 9 4 59.18 1.23 1.5613 3 3 3 4 59.35 1.73 1.5572 4 1 7 4 59.46 16.23 1.5546 -2 2 10 4 59.67 1.30 1.5495 -2 0 12 2 59.84 3.05 1.5457 1 2 10 4 59.92 2.47 1.5436 -3 3 5 4 60.85 6.92 1.5224 4 0 8 2 61.05 1.50 1.5179 -5 2 2 4 61.30 1.05 1.5122 -5 1 7 4 61.31 2.30 1.5119 5 2 0 4 61.34 1.96 1.5114 3 0 10 2 62.43 19.76 1.4876 -4 2 8 4 62.49 2.04 1.4862 -5 2 4 4 62.61 27.33 1.4836 0 4 0 2 63.96 7.65 1.4556 2 2 10 4 65.69 2.49 1.4214 6 0 2 2 66.46 1.10 1.4068 4 3 3 4 66.71 2.09 1.4021 -1 2 12 4 67.10 1.61 1.3949 -6 0 6 2 67.77 2.14 1.3827 2 4 2 4 68.80 4.69 1.3646 -4 0 12 2 70.26 2.72 1.3396 -3 1 13 4 70.33 1.89 1.3386 -4 3 7 4 70.56 1.81 1.3347 4 3 5 4 71.25 1.35 1.3235 3 4 0 4 71.42 1.62 1.3207 -3 4 2 4 71.45 5.51 1.3203 -6 2 2 4 71.98 1.59 1.3119 5 2 6 4 72.09 2.74 1.3101 -5 3 3 4 72.50 2.81 1.3038 -1 3 11 4 72.52 5.36 1.3035 -2 4 6 4 72.58 6.90 1.3025 -6 2 4 4 73.94 1.68 1.2819 6 2 2 4 74.66 1.21 1.2714 6 0 6 2 75.91 3.80 1.2535 2 0 14 2 76.31 1.32 1.2478 -5 2 10 4 76.33 2.42 1.2475 5 1 9 4 76.43 1.23 1.2462 -1 1 15 4 76.90 1.05 1.2398 -4 2 12 4 77.38 2.49 1.2333 0 2 14 4 77.59 3.37 1.2305 -2 4 8 4 77.63 1.05 1.2299 -4 4 2 4 78.48 1.16 1.2187 5 2 8 4 79.13 1.21 1.2103 -4 4 4 4 82.16 1.17 1.1732 -4 4 6 4 86.12 1.94 1.1291 -3 3 13 4 86.94 1.45 1.1205 4 4 6 4 87.15 3.26 1.1184 1 5 5 4 88.05 1.33 1.1092 2 4 10 4 88.82 1.94 1.1017 0 2 16 4 89.03 1.29 1.0996 -8 0 4 2 89.56 1.27 1.0945 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.