Pyroxmangite Pinckney L R, Burnham C W American Mineralogist 73 (1988) 809-817 High-temperature crystal structure of pyrxomangite Sample: T = 600 C Note: Si1x changed to a more reasonable value. _database_code_amcsd 0001171 CELL PARAMETERS: 9.7540 10.6170 17.5060 111.990 102.560 82.970 SPACE GROUP: C-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1639.091 Density (g/cm3): 3.688 MAX. ABS. INTENSITY / VOLUME**2: 8.018969271 RIR: 0.708 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 5.54 30.68 15.9476 0 0 1 2 11.10 28.04 7.9738 0 0 2 2 11.65 40.99 7.5983 -1 -1 1 2 12.65 10.02 6.9968 1 1 0 2 13.16 40.89 6.7300 -1 -1 2 2 13.24 14.12 6.6872 -1 1 0 2 13.77 32.90 6.4316 1 -1 1 2 14.93 13.56 5.9325 -1 1 1 2 15.70 21.39 5.6436 1 1 1 2 16.31 32.18 5.4352 1 -1 2 2 16.51 2.66 5.3682 -1 -1 3 2 16.85 4.19 5.2608 0 -2 1 2 18.25 1.25 4.8605 -1 1 2 2 18.45 1.99 4.8094 -2 0 1 2 18.66 30.68 4.7554 2 0 0 2 19.71 2.94 4.5050 0 -2 3 2 19.88 10.27 4.4672 -2 0 2 2 19.90 2.71 4.4619 1 1 2 2 20.13 3.12 4.4112 1 -1 3 2 20.73 21.25 4.2856 0 2 1 2 22.51 1.88 3.9495 -1 1 3 2 22.64 4.28 3.9268 -2 0 3 2 23.13 1.27 3.8450 0 -2 4 2 23.42 1.69 3.7992 -2 -2 2 2 23.50 1.38 3.7855 2 0 2 2 23.80 1.91 3.7381 -2 -2 1 2 24.35 3.74 3.6547 -2 -2 3 2 24.44 18.30 3.6418 0 2 2 2 24.67 2.63 3.6085 1 -1 4 2 24.69 5.77 3.6054 1 1 3 2 25.46 18.35 3.4984 2 2 0 2 25.75 1.85 3.4599 -1 -1 5 2 26.44 4.04 3.3709 -1 -3 3 2 26.66 13.17 3.3436 -2 2 0 2 27.31 2.66 3.2660 -1 1 4 2 27.32 4.73 3.2639 0 -2 5 2 27.40 4.32 3.2554 2 0 3 2 27.74 2.31 3.2158 2 -2 2 2 27.88 6.11 3.2006 -2 2 1 2 27.97 3.93 3.1895 0 0 5 2 28.04 2.88 3.1823 -3 -1 2 2 28.06 5.33 3.1797 -3 -1 1 2 28.12 3.55 3.1728 -1 -3 4 2 28.18 8.33 3.1668 2 2 1 2 28.25 23.51 3.1593 1 -3 2 2 28.82 3.66 3.0976 0 2 3 2 29.20 21.69 3.0581 3 1 0 2 29.43 50.61 3.0349 1 -3 3 2 29.64 3.07 3.0142 1 -1 5 2 29.83 100.00 2.9949 1 1 4 2 29.92 7.36 2.9865 2 -2 3 2 30.00 51.83 2.9783 -3 1 0 2 30.13 7.09 2.9662 -2 2 2 2 30.16 4.57 2.9634 -3 1 1 2 30.70 1.00 2.9120 -2 0 5 2 30.78 7.64 2.9046 -1 -3 5 2 30.91 19.08 2.8932 3 -1 1 2 30.94 1.21 2.8898 -1 -1 6 2 31.24 1.67 2.8628 -3 -1 4 2 31.35 18.05 2.8534 3 1 1 2 31.61 1.17 2.8305 1 -3 4 2 32.44 2.48 2.7602 -1 1 5 2 32.79 13.08 2.7311 3 -1 2 2 33.23 3.21 2.6963 -2 2 3 2 33.38 71.40 2.6841 -2 -2 6 2 33.50 2.67 2.6752 -3 1 3 2 33.64 28.56 2.6641 0 2 4 2 33.72 1.17 2.6579 0 0 6 2 34.08 17.22 2.6304 0 -4 2 2 34.20 1.62 2.6221 -3 -1 5 2 34.25 2.69 2.6183 0 -4 3 2 34.33 5.48 2.6120 3 1 2 2 34.62 1.17 2.5913 1 -3 5 2 34.66 3.20 2.5878 1 3 2 2 35.21 3.80 2.5489 1 1 5 2 35.44 12.48 2.5328 -3 -3 3 2 35.52 2.80 2.5276 3 -1 3 2 35.61 6.54 2.5210 -3 -3 2 2 36.44 19.30 2.4659 -3 1 4 2 36.74 1.94 2.4462 2 0 5 2 36.79 1.61 2.4427 -2 -4 3 2 36.99 6.14 2.4302 -2 2 4 2 37.72 2.06 2.3847 -2 -2 7 2 37.80 3.56 2.3798 -3 -3 5 2 37.81 1.84 2.3794 -1 1 6 2 37.82 1.96 2.3786 -3 -1 6 2 37.84 3.48 2.3777 4 0 0 2 38.47 1.06 2.3401 -2 -4 1 2 38.60 2.07 2.3323 3 3 0 2 38.78 2.27 2.3222 0 2 5 2 39.02 1.83 2.3083 0 4 1 2 39.15 3.28 2.3008 -4 -2 3 2 39.56 1.34 2.2782 0 0 7 2 40.20 2.64 2.2433 -3 -3 6 2 40.38 1.07 2.2336 -4 0 4 2 40.43 24.39 2.2309 2 2 4 2 40.78 2.95 2.2129 1 1 6 2 40.78 1.19 2.2126 3 -3 2 2 40.92 14.62 2.2056 2 -2 6 2 41.00 22.27 2.2015 2 -4 2 2 41.16 1.09 2.1930 2 -4 1 2 41.27 1.11 2.1877 -2 2 5 2 41.54 5.30 2.1742 -3 3 1 2 41.89 2.10 2.1565 -1 3 4 2 41.98 1.28 2.1521 -3 -1 7 2 42.15 4.14 2.1439 3 -3 3 2 42.16 12.10 2.1434 3 1 4 2 42.37 1.32 2.1333 0 -2 8 2 43.37 2.56 2.0865 -3 3 2 2 43.37 5.41 2.0864 -1 -5 2 2 44.01 1.23 2.0574 -1 -5 5 2 44.19 13.80 2.0494 -4 -2 6 2 44.41 1.19 2.0398 -4 2 2 2 45.27 3.91 2.0031 1 -5 2 2 45.58 3.68 1.9903 2 -2 7 2 45.74 1.51 1.9837 -1 -5 6 2 45.89 2.62 1.9775 -3 3 3 2 45.97 1.40 1.9744 -2 0 8 2 46.29 1.01 1.9615 -2 4 2 2 46.57 1.59 1.9502 -3 -1 8 2 46.76 2.30 1.9425 3 1 5 2 47.01 1.47 1.9328 -2 -4 8 2 47.02 1.12 1.9325 3 -3 5 2 47.28 1.11 1.9227 1 -5 5 2 47.28 1.67 1.9225 0 -4 8 2 47.90 1.04 1.8990 -5 -1 4 2 48.07 3.59 1.8927 4 0 4 2 48.19 6.89 1.8882 1 3 5 2 48.32 3.06 1.8835 5 1 0 2 48.55 2.06 1.8753 -4 -4 5 2 48.71 3.57 1.8693 -4 2 4 2 48.72 1.79 1.8691 -4 -4 2 2 48.86 1.04 1.8641 -5 1 1 2 49.09 1.03 1.8557 -3 -5 5 2 49.42 3.49 1.8443 1 5 1 2 49.58 1.04 1.8386 -5 -1 5 2 49.83 1.82 1.8299 -3 -5 2 2 49.84 5.31 1.8296 -1 5 1 2 49.91 1.84 1.8274 -4 -4 6 2 50.01 4.26 1.8236 -4 0 7 2 50.25 4.60 1.8155 -3 -5 6 2 50.29 1.30 1.8143 -5 1 3 2 51.03 1.84 1.7897 -5 -3 3 2 51.15 1.11 1.7859 -1 -5 8 2 51.52 3.10 1.7738 -3 -1 9 2 51.73 1.06 1.7672 3 1 6 2 51.90 2.06 1.7618 -5 -1 6 2 51.95 1.33 1.7603 5 -1 2 2 51.97 1.38 1.7594 -5 -3 5 2 52.02 2.68 1.7579 -5 1 4 2 52.08 1.77 1.7562 -3 -5 7 2 52.09 1.42 1.7558 4 0 5 2 52.66 3.42 1.7382 -1 5 2 2 52.67 5.20 1.7378 1 5 2 2 52.68 2.37 1.7376 3 3 4 2 52.69 1.21 1.7372 -3 3 5 2 52.91 1.03 1.7306 -2 4 4 2 53.42 1.51 1.7152 1 3 6 2 53.45 1.37 1.7143 -5 -3 6 2 53.52 4.35 1.7120 -2 -6 5 2 53.70 16.53 1.7069 -1 -1 10 2 54.16 1.87 1.6935 0 -6 1 2 54.18 1.39 1.6929 0 -6 6 2 54.22 9.25 1.6918 4 2 4 2 54.52 1.29 1.6833 -3 -5 8 2 54.69 14.46 1.6783 -1 -5 9 2 54.82 10.35 1.6747 4 -4 2 2 55.74 1.09 1.6490 4 -4 3 2 55.95 1.51 1.6435 -4 4 1 2 56.06 5.33 1.6404 4 -2 6 2 56.34 3.05 1.6330 -2 2 8 2 56.45 1.11 1.6300 -2 -6 1 2 57.42 7.32 1.6049 -2 0 10 2 57.72 2.18 1.5973 -3 5 1 2 57.82 4.42 1.5948 0 0 10 2 58.15 9.41 1.5864 -2 -6 8 2 58.20 5.83 1.5851 6 0 0 2 58.57 1.16 1.5761 -5 3 2 2 58.66 1.35 1.5737 4 2 5 2 58.69 6.71 1.5731 0 -6 8 2 59.11 1.13 1.5628 2 -6 1 2 59.34 1.61 1.5574 5 1 4 2 59.44 1.09 1.5550 2 -6 5 2 59.45 1.81 1.5547 4 -4 5 2 59.66 1.94 1.5497 2 4 5 2 59.93 1.26 1.5435 3 5 2 2 60.40 1.69 1.5325 -6 -2 6 2 60.97 1.00 1.5197 -5 -5 5 2 61.18 1.19 1.5148 -1 -7 4 2 61.39 3.01 1.5103 4 0 7 2 61.73 11.44 1.5026 0 6 2 2 62.20 1.61 1.4926 -1 3 8 2 62.51 2.58 1.4858 -6 -2 7 2 63.73 1.18 1.4602 1 -7 4 2 63.94 3.04 1.4560 -4 0 10 2 64.17 1.37 1.4513 1 -7 5 2 64.29 2.81 1.4489 -6 -4 3 2 64.49 2.80 1.4448 -4 -6 8 2 64.68 1.55 1.4412 -5 1 8 2 64.75 1.91 1.4398 1 3 8 2 65.05 3.06 1.4337 -1 -7 8 2 65.06 1.53 1.4336 2 0 10 2 65.30 8.23 1.4289 -6 -4 2 2 65.39 1.88 1.4271 -3 -7 4 2 65.43 12.12 1.4264 -6 2 4 2 65.51 1.31 1.4249 -4 -6 1 2 66.01 1.78 1.4153 2 -6 8 2 66.30 1.28 1.4098 6 -2 3 2 66.35 1.70 1.4089 -3 3 8 2 66.95 4.07 1.3977 0 -4 12 2 67.32 3.60 1.3910 5 -3 6 2 67.65 2.05 1.3848 -1 1 11 2 68.89 2.06 1.3630 5 -1 7 2 69.40 1.26 1.3542 7 1 0 2 69.84 1.12 1.3468 3 -5 9 2 70.12 1.04 1.3421 -1 -3 13 2 70.30 1.10 1.3390 -3 1 11 2 70.38 1.66 1.3377 -7 1 0 2 71.21 1.03 1.3242 -7 -3 6 2 71.27 1.17 1.3232 -7 1 4 2 71.63 2.74 1.3174 -2 4 8 2 71.68 1.38 1.3166 0 -8 5 2 72.29 1.03 1.3070 -7 -1 7 2 72.42 4.79 1.3050 -2 -8 4 2 72.75 3.31 1.2999 0 -4 13 2 75.13 1.54 1.2646 -4 -4 13 2 75.15 1.52 1.2642 -5 -7 5 2 75.18 1.27 1.2638 6 -2 6 2 75.78 1.69 1.2552 -5 -7 4 2 76.65 3.22 1.2431 -5 3 8 2 77.38 1.42 1.2333 2 -8 4 2 80.99 1.16 1.1872 -6 -4 12 2 83.94 1.18 1.1528 3 -5 12 2 86.03 1.28 1.1300 3 -3 13 2 87.89 1.35 1.1109 7 5 1 2 88.20 1.93 1.1078 5 3 8 2 88.30 1.67 1.1067 5 -7 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.