triploidite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R050186 sample at 293K CELL PARAMETERS: 13.36110 6.492300 10.06110 90.00000 119.8180 90.00000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Mn 0.05577 0.26602 0.99520 0.850 0.880 Fe 0.05577 0.26602 0.99520 0.100 0.880 Ca 0.05577 0.26602 0.99520 0.050 0.880 Mn 0.34364 0.39546 0.64742 0.750 0.681 Mg 0.34364 0.39546 0.64742 0.150 0.681 Fe 0.34364 0.39546 0.64742 0.100 0.681 P 0.17599 0.40651 0.80583 1.000 0.523 O 0.30644 0.08203 0.58205 1.000 0.889 O 0.20977 0.14245 0.18929 1.000 0.945 O 0.41582 0.03556 0.35795 1.000 0.975 O 0.36696 0.28341 0.14479 1.000 0.906 F 0.01594 0.09676 0.39268 1.000 1.707 O 0.01583 0.09679 0.39278 1.000 1.059 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 15.10440912 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.38 9.02 5.7974 2 0 0 15.73 23.66 5.6657 1 1 0 20.43 2.28 4.3665 0 0 2 20.74 13.74 4.3003 1 1 1 22.57 1.90 3.9535 -1 1 2 24.35 28.03 3.6677 -3 1 1 25.94 25.72 3.4453 -3 1 2 26.93 3.09 3.3212 3 1 0 27.27 57.92 3.2795 -4 0 2 28.76 2.22 3.1125 1 1 2 29.43 100.00 3.0434 0 2 1 30.80 1.74 2.9099 -2 2 1 30.93 1.22 2.8987 4 0 0 31.11 36.84 2.8823 -3 1 3 31.25 99.30 2.8695 2 0 2 31.66 10.87 2.8329 2 2 0 32.76 14.33 2.7400 3 1 1 33.34 9.58 2.6937 -2 2 2 34.50 21.31 2.6055 0 2 2 35.69 11.80 2.5210 2 2 1 36.12 7.53 2.4917 -2 0 4 37.56 3.50 2.3992 -5 1 1 38.10 4.35 2.3663 1 1 3 38.31 1.44 2.3536 -5 1 3 38.55 2.18 2.3394 -3 1 4 39.11 4.61 2.3074 -4 2 2 40.58 5.81 2.2266 -1 1 4 40.61 11.42 2.2251 3 1 2 40.67 4.23 2.2222 -6 0 2 41.41 2.00 2.1839 5 1 0 41.42 4.69 2.1833 0 0 4 41.87 17.07 2.1609 -4 2 3 42.09 6.17 2.1502 2 2 2 42.55 1.69 2.1278 1 3 0 42.79 7.91 2.1164 -5 1 4 42.88 27.13 2.1121 -1 3 1 44.65 25.27 2.0323 -6 0 4 44.81 1.14 2.0253 1 3 1 45.76 1.83 1.9854 -1 3 2 45.97 6.19 1.9767 -2 2 4 46.74 8.41 1.9461 -3 3 1 46.98 2.03 1.9364 -4 2 4 47.09 6.56 1.9325 6 0 0 47.41 2.33 1.9199 -3 1 5 47.46 16.20 1.9180 5 1 1 48.23 3.54 1.8892 1 1 4 48.25 2.28 1.8886 3 3 0 49.32 10.00 1.8499 -5 1 5 49.74 6.53 1.8351 3 1 3 50.15 15.30 1.8213 2 2 3 50.37 2.28 1.8135 -6 2 3 50.43 11.60 1.8118 0 2 4 50.85 4.55 1.7977 -1 3 3 50.89 8.77 1.7963 -1 1 5 51.50 9.11 1.7764 -6 2 1 52.02 9.73 1.7598 3 3 1 52.05 10.36 1.7588 -7 1 4 53.23 1.69 1.7227 -6 2 4 53.89 1.76 1.7030 4 2 2 54.64 1.34 1.6814 -5 3 2 54.69 3.11 1.6800 -2 2 5 54.79 3.73 1.6770 -4 0 6 55.38 3.13 1.6606 6 2 0 55.44 3.71 1.6588 -5 3 1 55.84 4.01 1.6478 1 3 3 56.00 22.14 1.6435 -5 3 3 56.11 12.81 1.6406 -8 0 2 56.20 9.12 1.6382 -7 1 5 56.75 1.09 1.6235 0 4 0 57.30 1.60 1.6093 -3 1 6 57.47 5.66 1.6050 7 1 0 57.73 3.42 1.5984 -1 3 4 57.82 4.09 1.5961 0 4 1 58.10 3.36 1.5889 -6 2 5 59.05 1.45 1.5656 1 1 5 59.14 4.94 1.5633 2 4 0 59.44 3.57 1.5563 2 2 4 60.19 4.40 1.5387 -2 4 2 60.21 5.31 1.5382 0 2 5 60.93 5.89 1.5217 0 4 2 61.14 4.09 1.5169 6 2 1 61.40 1.60 1.5111 6 0 2 61.89 2.41 1.5002 -1 1 6 62.19 3.20 1.4937 -7 1 6 62.30 2.07 1.4914 4 2 3 62.60 1.53 1.4850 -8 2 3 63.17 7.27 1.4728 -3 3 5 63.58 1.02 1.4643 -8 2 2 63.61 4.78 1.4637 -8 2 4 63.85 1.16 1.4588 1 3 4 64.01 4.53 1.4555 0 0 6 64.03 2.81 1.4551 -4 4 1 64.22 4.69 1.4512 5 1 3 64.31 2.09 1.4494 8 0 0 64.53 2.35 1.4450 -2 2 6 64.72 1.02 1.4411 -6 2 6 64.76 2.47 1.4405 -5 3 5 65.05 2.33 1.4348 4 0 4 65.35 3.71 1.4287 -7 3 3 66.08 2.28 1.4148 -1 3 5 66.17 1.15 1.4130 2 4 2 66.26 2.28 1.4113 -9 1 2 66.52 1.47 1.4065 -8 2 1 66.76 5.82 1.4019 -5 1 7 67.04 1.23 1.3968 -9 1 5 67.76 6.65 1.3836 -7 3 1 68.11 2.67 1.3773 -3 1 7 68.53 1.05 1.3700 6 2 2 70.59 1.54 1.3349 -10 0 4 70.67 5.09 1.3335 -7 3 5 70.65 2.59 1.3339 1 1 6 70.91 1.33 1.3297 3 1 5 71.00 1.52 1.3282 0 2 6 71.37 1.68 1.3222 -8 2 6 72.06 1.57 1.3112 -4 2 7 72.37 3.70 1.3063 2 4 3 72.60 4.31 1.3028 0 4 4 73.39 1.80 1.2907 1 5 0 76.69 5.65 1.2430 6 4 0 77.33 3.57 1.2343 -5 1 8 77.76 2.80 1.2286 8 2 1 78.21 2.25 1.2226 -9 3 3 79.35 1.00 1.2078 8 0 2 80.00 1.46 1.1996 -10 2 2 80.18 1.94 1.1974 2 4 4 80.25 1.14 1.1965 -5 3 7 80.52 1.53 1.1932 3 5 1 80.85 1.29 1.1891 0 4 5 81.20 1.34 1.1849 7 1 3 81.52 1.52 1.1811 -3 3 7 81.68 1.58 1.1792 6 4 1 83.06 1.11 1.1630 3 1 6 84.89 1.48 1.1425 -6 4 6 85.86 2.13 1.1320 8 2 2 86.84 1.04 1.1218 -1 3 7 89.95 1.32 1.0908 -3 5 5 89.95 1.32 1.0908 -3 5 5 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.