Pyroxferroite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140465 Burnham C W Proceedings of the Second Lunar Science Conference 1 (1971) 47-57 The crystal structure of pyroxferroite from Mare Tranquillitatis Locality: Apollo 11 microgabbro sample 10047, Mare Tranquillitatis, Moon _database_code_amcsd 0015363 CELL PARAMETERS: 6.6510 7.5450 17.3650 113.990 82.430 94.590 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Fe 0.04310 0.45910 0.39530 1.000 0.640 Fe 0.16040 0.33600 0.18870 0.920 0.600 Ca 0.16040 0.33600 0.18870 0.080 0.600 Fe 0.06630 0.43410 0.89630 1.000 0.660 Fe 0.16260 0.30980 0.69450 0.960 0.730 Ca 0.16260 0.30980 0.69450 0.040 0.730 Fe 0.27100 0.22180 0.98920 0.720 1.230 Ca 0.27100 0.22180 0.98920 0.280 1.230 Fe 0.80860 0.83080 0.51700 0.810 1.490 Ca 0.80860 0.83080 0.51700 0.190 1.490 Fe 0.62260 0.86380 0.71110 0.650 1.120 Ca 0.62260 0.86380 0.71110 0.350 1.120 Si 0.24310 0.85510 0.56610 1.000 0.450 Si 0.12620 0.95780 0.75000 1.000 0.420 Si 0.32510 0.75440 0.83990 1.000 0.410 Si 0.78430 0.13360 0.96730 1.000 0.440 Si 0.58120 0.34190 0.87860 1.000 0.350 Si 0.68200 0.23810 0.68840 1.000 0.590 Si 0.49100 0.41190 0.58870 1.000 0.530 O 0.05630 0.70040 0.52970 1.000 0.680 O 0.06330 0.19600 0.27300 1.000 0.630 O 0.15340 0.58170 0.81230 1.000 0.620 O 0.03380 0.70690 0.01830 1.000 0.690 O 0.24070 0.49380 0.10610 1.000 0.550 O 0.13200 0.60770 0.30510 1.000 0.720 O 0.34810 0.41670 0.39630 1.000 0.730 O 0.25030 0.44170 0.59420 1.000 0.850 O 0.17830 0.06280 0.57240 1.000 0.980 O 0.07440 0.18200 0.77870 1.000 0.750 O 0.54600 0.70600 0.79070 1.000 1.480 O 0.84080 0.91000 0.92450 1.000 1.040 O 0.35610 0.40660 0.92000 1.000 0.850 O 0.73500 0.01640 0.63070 1.000 0.930 O 0.28780 0.88660 0.66210 1.000 0.640 O 0.25010 0.93670 0.82140 1.000 1.070 O 0.34220 0.84450 0.94170 1.000 0.890 O 0.62250 0.18030 0.91480 1.000 0.860 O 0.58800 0.21960 0.77630 1.000 0.590 O 0.49160 0.31460 0.65840 1.000 0.770 O 0.54650 0.23170 0.49600 1.000 0.790 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 10.28786304 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.60 1.56 15.7705 0 0 1 12.85 13.00 6.8903 0 1 0 13.44 20.57 6.5902 1 0 0 15.97 1.14 5.5503 0 1 1 16.87 2.02 5.2568 0 0 3 18.90 35.38 4.6945 1 1 0 19.97 1.91 4.4469 1 -1 3 21.08 4.75 4.2147 -1 1 1 22.76 2.04 3.9073 -1 0 3 23.68 1.32 3.7575 0 -2 2 24.13 4.11 3.6881 0 -2 1 24.57 1.58 3.6231 0 -2 3 25.09 4.90 3.5493 0 1 3 25.86 10.45 3.4451 0 2 0 26.30 5.29 3.3886 1 -2 2 26.68 1.63 3.3413 0 -2 4 26.80 9.22 3.3270 1 -2 3 27.03 3.42 3.2982 2 0 1 27.06 8.11 3.2951 2 0 0 27.60 2.00 3.2318 -1 0 4 27.84 7.31 3.2041 1 1 3 28.19 4.37 3.1655 2 0 2 28.27 12.95 3.1573 -2 0 1 28.65 15.07 3.1155 0 2 1 28.66 2.30 3.1153 2 -1 1 28.73 36.88 3.1078 2 -1 2 29.61 19.89 3.0171 1 2 0 29.77 5.06 3.0015 0 -2 5 29.91 31.00 2.9872 2 -1 3 30.30 84.33 2.9501 0 1 4 30.41 7.28 2.9398 2 0 3 30.41 51.82 2.9394 2 1 0 30.91 1.05 2.8929 -1 -1 5 31.18 2.15 2.8683 0 -1 6 31.37 6.07 2.8520 2 1 1 31.45 1.16 2.8449 -1 -2 4 31.83 7.16 2.8113 1 2 1 32.10 2.44 2.7881 2 -1 4 32.26 2.03 2.7752 0 2 2 32.37 2.38 2.7660 1 -1 6 32.38 1.84 2.7647 1 1 4 33.31 1.83 2.6901 2 1 2 33.59 100.00 2.6681 0 -2 6 33.82 3.15 2.6503 -2 -1 3 34.15 33.99 2.6259 -1 1 4 34.39 1.65 2.6075 -1 -2 5 34.55 2.01 2.5963 1 -2 6 34.67 33.16 2.5872 2 -2 2 35.74 1.53 2.5123 -1 -1 6 35.85 5.72 2.5050 0 -3 3 36.08 20.09 2.4892 0 -3 2 36.76 15.92 2.4446 -2 -1 4 37.23 2.70 2.4150 0 -3 1 37.43 7.66 2.4028 -2 0 4 37.62 1.39 2.3907 -2 -2 1 37.78 4.59 2.3812 1 -3 2 37.79 1.01 2.3805 -2 -2 2 37.96 1.13 2.3703 0 -2 7 38.03 4.92 2.3659 -1 -2 6 38.35 2.74 2.3473 2 2 0 38.83 2.86 2.3192 2 -1 6 38.84 1.69 2.3187 -2 -2 3 39.22 2.04 2.2968 0 3 0 39.54 5.21 2.2790 -1 -3 3 40.50 5.91 2.2276 0 -3 6 40.71 2.05 2.2163 -2 -2 4 41.13 29.71 2.1948 0 2 4 41.18 1.12 2.1920 1 -3 6 41.45 3.02 2.1784 3 0 2 41.55 19.77 2.1734 2 0 6 41.70 35.22 2.1658 3 -1 2 42.15 4.26 2.1441 -3 0 1 42.22 1.03 2.1405 -1 -2 7 42.85 2.65 2.1103 3 0 3 42.88 13.63 2.1091 1 2 4 43.06 1.02 2.1006 2 -1 7 43.90 1.65 2.0625 -3 -1 1 44.12 5.01 2.0525 2 -3 2 44.43 1.17 2.0391 1 3 1 44.48 21.97 2.0370 -1 -3 6 46.08 5.37 1.9697 3 -2 2 46.27 3.80 1.9620 2 0 7 46.51 1.26 1.9526 -3 0 3 47.13 4.26 1.9282 -2 1 5 47.57 1.22 1.9116 1 2 5 48.88 2.54 1.8631 2 2 4 49.00 2.10 1.8589 2 3 0 49.01 2.49 1.8586 -1 2 5 49.06 1.41 1.8570 0 -4 5 49.25 4.75 1.8502 -3 -1 4 49.42 4.20 1.8440 0 -4 2 49.49 1.12 1.8419 -3 -2 1 49.66 2.40 1.8358 -3 0 4 49.97 1.39 1.8251 -2 -3 5 50.33 1.42 1.8128 -2 3 1 50.36 3.66 1.8119 -2 -2 7 50.37 2.36 1.8116 0 -4 6 50.64 1.03 1.8026 1 -4 2 50.73 2.81 1.7995 -3 2 1 50.84 1.05 1.7961 -3 -2 3 50.84 1.78 1.7960 1 -4 6 51.77 2.86 1.7659 2 -3 8 52.27 2.46 1.7502 -1 -4 2 52.27 4.41 1.7501 -2 -3 6 52.54 1.65 1.7416 -3 -2 4 52.63 1.48 1.7390 1 -4 7 53.59 7.25 1.7102 -3 2 2 53.65 10.47 1.7083 -2 3 2 53.89 2.40 1.7014 -1 -4 6 54.22 20.23 1.6918 0 -1 10 54.34 1.84 1.6883 2 -4 5 55.05 3.16 1.6681 1 -4 8 55.18 12.71 1.6645 1 3 4 55.33 9.83 1.6604 2 -3 9 55.74 17.18 1.6491 4 0 2 56.99 1.71 1.6159 -2 0 8 57.03 8.02 1.6149 3 1 6 57.93 10.47 1.5918 -1 -1 10 58.53 6.15 1.5771 0 0 10 58.69 1.29 1.5731 -4 1 1 58.69 1.97 1.5730 1 0 10 58.88 10.52 1.5684 2 -4 8 59.03 6.09 1.5648 3 3 0 59.05 1.11 1.5643 4 1 2 59.33 2.22 1.5577 0 4 2 59.33 1.68 1.5576 4 -2 2 59.57 7.60 1.5520 3 -3 8 60.38 2.48 1.5331 2 3 4 60.50 2.56 1.5303 4 0 5 60.76 1.38 1.5243 -1 3 5 60.88 2.38 1.5216 -4 1 2 60.91 4.31 1.5210 -2 -4 6 61.06 4.64 1.5176 -1 4 2 62.28 1.71 1.4908 3 -4 4 62.46 1.16 1.4870 2 0 10 62.47 2.60 1.4867 2 2 7 62.91 15.04 1.4774 -3 3 2 62.99 2.72 1.4757 -2 -4 7 63.08 2.77 1.4737 -2 1 8 64.41 3.99 1.4465 -2 -2 10 64.93 1.98 1.4362 4 -3 4 65.16 2.06 1.4317 -1 -5 3 65.22 2.51 1.4305 1 -5 8 65.23 1.64 1.4303 0 -5 8 65.35 2.05 1.4279 4 -3 5 65.48 1.20 1.4255 3 3 3 65.83 4.30 1.4187 -1 2 8 65.84 1.68 1.4185 1 -3 12 66.05 2.40 1.4146 3 -4 8 66.09 2.10 1.4138 1 1 10 66.20 14.49 1.4117 -4 -2 4 66.26 11.72 1.4106 -1 -5 2 66.50 2.44 1.4060 2 -5 4 66.87 1.02 1.3991 -4 0 5 67.15 2.62 1.3940 4 -2 8 67.17 2.51 1.3937 -3 0 8 67.42 1.28 1.3891 4 2 3 67.76 6.51 1.3830 2 -2 12 68.47 2.11 1.3703 -1 0 11 68.53 6.43 1.3693 4 1 6 70.14 2.71 1.3417 3 2 7 70.44 1.20 1.3367 3 4 0 70.45 1.28 1.3366 4 -2 9 70.60 1.70 1.3340 0 -4 12 70.99 1.37 1.3278 -2 -1 11 71.42 1.17 1.3207 1 -3 13 71.43 1.62 1.3206 4 3 0 72.07 2.00 1.3105 -2 -5 2 72.10 1.20 1.3099 -4 -3 4 72.70 5.71 1.3007 -3 1 8 72.92 1.12 1.2973 -3 -4 7 73.27 1.07 1.2919 3 -5 5 73.65 2.21 1.2863 2 -2 13 73.77 5.49 1.2844 3 -5 4 75.66 1.79 1.2570 0 -4 13 76.12 2.39 1.2506 3 -1 12 76.30 1.00 1.2480 -5 1 2 76.32 2.23 1.2478 1 -6 5 76.57 2.04 1.2443 4 2 6 77.03 2.48 1.2380 1 -6 4 77.55 1.35 1.2310 -1 3 8 77.56 4.00 1.2309 -4 -1 8 78.93 1.37 1.2129 5 -3 4 79.83 1.46 1.2014 -4 0 8 81.54 1.94 1.1805 -1 -5 12 82.12 1.52 1.1736 4 4 0 85.42 1.70 1.1365 4 -1 12 86.23 1.06 1.1280 3 2 10 89.01 1.08 1.0998 6 -1 4 89.58 1.37 1.0942 1 6 1 89.94 1.38 1.0908 -1 0 14 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.