Pyroxmangite Pinckney L R, Burnham C W American Mineralogist 73 (1988) 809-817 High-temperature crystal structure of pyroxmangite Sample: T = 400 C _database_code_amcsd 0001170 CELL PARAMETERS: 9.7390 10.5850 17.4820 112.020 102.660 82.970 SPACE GROUP: C-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1628.479 Density (g/cm3): 3.712 MAX. ABS. INTENSITY / VOLUME**2: 8.679693336 RIR: 0.761 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 5.55 1.37 15.9167 0 0 1 2 12.69 9.63 6.9763 1 1 0 2 13.27 13.30 6.6729 -1 1 0 2 15.75 1.51 5.6259 1 1 1 2 16.71 3.80 5.3056 0 0 3 2 18.69 30.33 4.7464 2 0 0 2 19.75 3.41 4.4946 0 -2 3 2 20.79 2.99 4.2724 0 2 1 2 22.55 1.99 3.9428 -1 1 3 2 23.47 1.74 3.7912 -2 -2 2 2 23.87 4.83 3.7285 -2 -2 1 2 24.39 1.90 3.6488 -2 -2 3 2 24.52 1.27 3.6311 0 2 2 2 24.77 6.72 3.5950 1 1 3 2 25.54 16.64 3.4881 2 2 0 2 25.98 2.96 3.4292 -1 -3 2 2 26.51 10.16 3.3623 -1 -3 3 2 26.52 2.13 3.3607 -2 -2 4 2 26.68 4.78 3.3417 2 -2 1 2 26.72 12.10 3.3364 -2 2 0 2 27.35 3.51 3.2604 -1 1 4 2 27.47 8.35 3.2466 2 0 3 2 27.81 6.56 3.2081 2 -2 2 2 27.93 18.71 3.1942 -2 2 1 2 28.25 3.06 3.1586 1 -3 1 2 28.27 19.47 3.1570 2 2 1 2 28.33 42.02 3.1506 1 -3 2 2 29.27 20.80 3.0512 3 1 0 2 29.51 33.73 3.0269 1 -3 3 2 29.61 5.59 3.0170 -2 -2 5 2 29.92 91.19 2.9867 1 1 4 2 29.99 6.58 2.9792 2 -2 3 2 30.06 49.45 2.9729 -3 1 0 2 30.20 1.64 2.9589 -3 1 1 2 30.73 1.20 2.9094 -2 0 5 2 30.97 7.34 2.8872 3 -1 1 2 30.98 1.59 2.8862 -1 -1 6 2 31.36 1.48 2.8526 -1 3 1 2 31.43 7.45 2.8462 3 1 1 2 31.69 3.43 2.8234 1 -3 4 2 31.81 1.89 2.8129 2 2 2 2 31.95 1.89 2.8007 2 0 4 2 32.08 1.45 2.7904 0 -2 6 2 32.87 2.38 2.7249 3 -1 2 2 33.42 100.00 2.6814 -2 -2 6 2 33.54 2.12 2.6721 -3 1 3 2 33.73 34.13 2.6571 0 2 4 2 34.19 33.65 2.6224 0 -4 2 2 34.22 1.41 2.6202 -3 -1 5 2 34.27 2.12 2.6164 -1 -3 6 2 34.43 1.10 2.6049 3 1 2 2 34.78 1.38 2.5794 1 3 2 2 35.31 1.35 2.5422 1 1 5 2 35.52 6.49 2.5274 -3 -3 3 2 35.52 1.97 2.5272 -2 0 6 2 35.70 17.53 2.5149 -3 -3 2 2 35.96 1.27 2.4975 2 2 3 2 36.48 16.15 2.4632 -3 1 4 2 36.79 2.74 2.4429 -3 -3 1 2 37.06 8.12 2.4260 -2 2 4 2 37.24 1.29 2.4145 -4 0 1 2 37.31 4.51 2.4099 -2 -4 2 2 37.76 1.20 2.3823 -2 -2 7 2 37.85 3.16 2.3769 -3 -1 6 2 37.91 3.32 2.3732 4 0 0 2 38.37 2.24 2.3458 1 -3 6 2 38.53 1.06 2.3366 -4 0 3 2 38.72 2.08 2.3254 3 3 0 2 39.22 4.77 2.2972 -4 -2 3 2 40.12 1.12 2.2473 0 -4 6 2 40.25 5.24 2.2405 -3 -3 6 2 40.42 2.41 2.2315 -4 0 4 2 40.56 29.49 2.2242 2 2 4 2 40.84 1.36 2.2095 -2 -4 6 2 40.88 3.50 2.2074 3 -3 2 2 41.02 22.14 2.2003 2 -2 6 2 41.11 36.64 2.1957 2 -4 2 2 41.62 3.54 2.1697 -3 3 1 2 42.01 1.08 2.1505 -3 -1 7 2 42.26 2.19 2.1387 3 -3 3 2 42.29 12.38 2.1373 3 1 4 2 42.57 1.10 2.1237 1 -3 7 2 43.40 1.37 2.0851 -4 2 1 2 43.51 5.69 2.0798 -1 -5 2 2 44.23 22.86 2.0476 -4 -2 6 2 45.41 4.24 1.9972 1 -5 2 2 45.69 3.08 1.9856 2 -2 7 2 45.98 1.32 1.9738 -3 3 3 2 46.57 4.12 1.9501 -1 3 5 2 46.91 1.53 1.9370 3 1 5 2 47.61 1.06 1.9100 -2 -2 9 2 48.20 2.36 1.8878 4 0 4 2 48.35 2.64 1.8826 1 3 5 2 48.43 2.89 1.8796 5 1 0 2 48.64 1.44 1.8718 -4 -4 5 2 48.78 4.57 1.8668 -4 2 4 2 48.85 4.14 1.8642 -4 -4 2 2 48.94 1.45 1.8611 -5 1 1 2 49.12 1.69 1.8548 -3 3 4 2 49.59 1.43 1.8382 1 5 1 2 49.63 1.38 1.8369 -5 -1 5 2 49.99 3.26 1.8244 -4 -4 6 2 50.00 2.57 1.8242 -1 5 1 2 50.06 4.06 1.8222 -4 0 7 2 50.37 1.69 1.8117 -3 -5 6 2 51.26 2.80 1.7822 -1 -5 8 2 51.71 2.42 1.7679 -5 -3 2 2 51.95 3.40 1.7603 -5 -1 6 2 52.09 1.94 1.7559 -5 1 4 2 52.18 1.45 1.7528 -3 -5 7 2 52.82 7.37 1.7332 -1 5 2 2 52.85 1.56 1.7322 3 3 4 2 52.86 9.81 1.7321 1 5 2 2 53.52 2.13 1.7122 -5 -3 6 2 53.68 2.05 1.7074 -2 -6 5 2 53.79 20.45 1.7043 -1 -1 10 2 54.39 11.49 1.6869 4 2 4 2 54.62 2.48 1.6803 -3 -5 8 2 54.80 10.32 1.6751 -1 -5 9 2 54.95 16.46 1.6708 4 -4 2 2 56.21 7.76 1.6364 4 -2 6 2 56.45 1.98 1.6302 -2 2 8 2 57.50 8.69 1.6028 -2 0 10 2 57.94 5.14 1.5917 0 0 10 2 58.04 1.10 1.5890 1 -1 10 2 58.29 9.29 1.5829 -2 -6 8 2 58.32 6.08 1.5821 6 0 0 2 58.44 2.32 1.5793 2 -6 2 2 58.47 1.88 1.5785 4 4 2 2 58.85 7.16 1.5693 0 -6 8 2 59.51 1.92 1.5532 5 1 4 2 59.61 2.89 1.5510 4 -4 5 2 59.87 2.09 1.5449 2 4 5 2 60.05 1.89 1.5407 -3 5 2 2 60.15 3.19 1.5385 3 5 2 2 60.48 3.68 1.5308 -6 -2 6 2 61.39 1.37 1.5102 -1 -7 4 2 61.57 2.78 1.5062 4 0 7 2 61.69 1.13 1.5037 2 -2 10 2 61.95 12.85 1.4979 0 6 2 2 62.35 2.49 1.4893 -1 3 8 2 62.58 2.40 1.4844 -6 -2 7 2 63.94 1.47 1.4559 1 -7 4 2 64.00 3.96 1.4547 -4 0 10 2 64.38 1.43 1.4471 1 -7 5 2 64.45 2.49 1.4458 -6 -4 3 2 64.56 1.14 1.4435 6 0 3 2 64.63 2.48 1.4420 -4 -6 8 2 64.95 2.98 1.4359 1 3 8 2 65.24 1.93 1.4301 -1 -7 8 2 65.24 1.66 1.4301 2 0 10 2 65.37 1.47 1.4276 -2 -4 12 2 65.47 10.53 1.4256 -6 -4 2 2 65.53 13.14 1.4245 -6 2 4 2 65.61 1.97 1.4229 -3 -7 4 2 66.09 1.20 1.4138 -4 4 5 2 66.20 2.22 1.4117 2 -6 8 2 66.46 1.03 1.4067 6 -2 3 2 66.48 2.22 1.4065 -3 3 8 2 66.84 1.13 1.3998 -4 -6 9 2 67.08 6.28 1.3952 0 -4 12 2 67.50 5.66 1.3876 5 -3 6 2 67.74 1.04 1.3834 -6 2 5 2 67.79 1.93 1.3823 -1 1 11 2 69.09 2.23 1.3595 5 -1 7 2 69.56 1.18 1.3515 7 1 0 2 70.20 1.25 1.3407 -4 -4 12 2 70.41 1.18 1.3373 -3 1 11 2 70.53 1.67 1.3353 -7 1 0 2 70.89 1.10 1.3293 -2 -4 13 2 71.23 1.58 1.3239 -7 -3 2 2 71.81 4.22 1.3145 -2 4 8 2 72.37 1.13 1.3058 -7 -1 7 2 72.68 4.58 1.3010 -2 -8 4 2 72.90 2.43 1.2975 0 -4 13 2 75.14 1.87 1.2643 2 -4 12 2 75.21 1.36 1.2633 -4 -4 13 2 75.38 2.18 1.2609 -5 -7 5 2 75.39 1.84 1.2607 6 -2 6 2 76.03 1.86 1.2518 -5 -7 4 2 76.38 1.37 1.2469 2 4 8 2 76.78 3.53 1.2414 -5 3 8 2 77.64 1.33 1.2297 2 -8 4 2 78.92 1.05 1.2130 -4 4 8 2 81.04 1.07 1.1866 8 0 0 2 81.08 1.64 1.1861 -6 -4 12 2 84.18 1.37 1.1501 3 -5 12 2 87.51 1.05 1.1147 5 -7 4 2 88.20 1.24 1.1078 7 5 1 2 88.53 2.80 1.1045 5 3 8 2 88.58 1.44 1.1040 5 -7 5 2 88.94 1.00 1.1005 -1 1 14 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.