Triplite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070645 Rea J R, Kostiner E Acta Crystallographica B28 (1972) 2525-2529 The crystal structure of manganese fluorophosphate, Mn2(PO4)F Locality: synthetic CELL PARAMETERS: 13.4950 6.5170 10.1310 90.000 120.070 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Mn 0.05582 0.26660 0.99515 1.000 0.677 Mn 0.34421 0.39570 0.64860 1.000 0.589 P 0.17571 0.40582 0.80601 1.000 0.382 O 0.30690 0.08160 0.58280 1.000 0.735 O 0.21010 0.14410 0.18800 1.000 0.780 O 0.41570 0.03670 0.35820 1.000 0.743 O 0.36770 0.28260 0.14510 1.000 0.674 F 0.01400 0.09700 0.39180 1.000 1.234 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: 14.23632286 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.57 3.77 5.6909 1 1 0 16.37 1.62 5.4154 -1 1 1 18.23 1.07 4.8670 -2 0 2 20.58 8.70 4.3164 1 1 1 22.37 4.75 3.9734 -1 1 2 24.07 46.40 3.6966 -3 1 1 25.64 24.89 3.4743 -3 1 2 26.90 71.15 3.3141 -4 0 2 27.37 1.90 3.2585 0 2 0 28.58 1.28 3.1237 1 1 2 29.24 91.61 3.0544 0 2 1 30.62 6.02 2.9197 4 0 0 30.78 49.99 2.9046 -3 1 3 31.05 100.00 2.8806 2 0 2 31.44 15.58 2.8455 2 2 0 32.52 11.63 2.7534 3 1 1 33.08 10.89 2.7077 -2 2 2 34.29 23.73 2.6152 0 2 2 35.47 18.32 2.5311 2 2 1 35.83 15.79 2.5064 -2 0 4 36.04 2.03 2.4922 -5 1 2 37.17 7.16 2.4189 -5 1 1 37.86 2.02 2.3761 -5 1 3 37.89 2.79 2.3748 1 1 3 38.21 6.74 2.3555 -3 1 4 38.76 5.74 2.3235 -4 2 2 38.77 2.21 2.3228 -4 2 1 40.18 3.11 2.2443 -6 0 2 40.32 2.65 2.2368 -1 1 4 40.37 9.98 2.2345 3 1 2 41.18 3.06 2.1919 0 0 4 41.49 15.01 2.1763 -4 2 3 41.86 7.09 2.1582 2 2 2 42.32 1.21 2.1357 1 3 0 42.32 5.40 2.1357 -5 1 4 42.64 24.59 2.1202 -1 3 1 44.11 23.20 2.0532 -6 0 4 44.58 2.34 2.0326 1 3 1 45.12 1.77 2.0095 4 0 2 45.51 2.20 1.9932 -1 3 2 45.67 5.05 1.9867 -2 2 4 46.44 5.19 1.9554 -3 3 1 46.58 1.44 1.9498 -4 2 4 46.66 5.41 1.9465 6 0 0 47.04 1.58 1.9318 -3 1 5 47.12 17.94 1.9289 5 1 1 47.96 3.18 1.8970 3 3 0 47.98 2.64 1.8960 1 1 4 48.82 9.71 1.8654 -5 1 5 49.45 1.31 1.8432 -7 1 3 49.48 5.28 1.8421 3 1 3 49.87 2.09 1.8287 -6 2 3 49.89 12.73 1.8278 2 2 3 50.16 11.36 1.8187 0 2 4 50.57 2.28 1.8049 -1 3 3 50.59 8.95 1.8043 -1 1 5 51.05 6.88 1.7891 -6 2 1 51.44 8.37 1.7764 -7 1 4 51.73 12.94 1.7670 3 3 1 52.69 2.32 1.7371 -6 2 4 53.58 2.33 1.7104 4 2 2 54.22 1.69 1.6918 -5 3 2 54.33 4.09 1.6885 -4 0 6 54.34 4.77 1.6882 -2 2 5 54.95 3.07 1.6710 6 2 0 55.04 2.08 1.6683 -5 3 1 55.49 13.40 1.6559 -8 0 2 55.56 22.76 1.6541 -5 3 3 55.56 8.76 1.6541 -7 1 5 55.57 3.03 1.6537 1 3 3 56.89 1.59 1.6186 -3 1 6 56.98 5.31 1.6163 7 1 0 57.42 3.37 1.6049 -1 3 4 57.54 3.75 1.6018 0 4 1 57.54 2.83 1.6018 -6 2 5 58.76 1.44 1.5713 1 1 5 58.85 7.11 1.5693 2 4 0 59.15 3.47 1.5618 2 2 4 59.87 5.07 1.5450 -2 4 2 59.90 6.03 1.5441 0 2 5 60.64 7.03 1.5272 0 4 2 60.72 4.92 1.5252 6 2 1 61.00 2.75 1.5190 6 0 2 61.52 3.65 1.5074 -7 1 6 61.55 3.41 1.5067 -1 1 6 61.94 2.31 1.4980 -8 2 3 61.98 3.85 1.4974 4 2 3 62.77 9.72 1.4804 -3 3 5 62.92 6.06 1.4770 -8 2 4 62.96 1.23 1.4763 -8 2 2 63.39 1.41 1.4674 -2 4 3 63.55 1.19 1.4641 1 3 4 63.64 1.26 1.4621 -4 4 2 63.65 4.31 1.4619 -4 4 1 63.68 6.30 1.4613 0 0 6 63.75 2.70 1.4598 8 0 0 63.87 3.97 1.4575 5 1 3 64.06 1.78 1.4537 -9 1 4 64.12 1.25 1.4523 -6 2 6 64.14 2.36 1.4519 -2 2 6 64.25 3.47 1.4498 -5 3 5 64.72 3.34 1.4403 4 0 4 64.77 3.58 1.4393 -7 3 3 64.80 1.50 1.4388 3 3 3 65.56 1.95 1.4238 -9 1 2 65.73 2.15 1.4206 -1 3 5 65.86 1.14 1.4181 2 4 2 65.93 1.11 1.4169 -8 2 1 66.20 5.80 1.4118 -5 1 7 66.23 1.97 1.4111 -9 1 5 67.23 6.13 1.3926 -7 3 1 67.65 2.48 1.3848 -3 1 7 69.73 1.26 1.3486 -10 0 4 70.02 4.74 1.3437 -7 3 5 70.32 2.07 1.3388 1 1 6 70.58 1.56 1.3344 3 1 5 70.61 1.93 1.3340 -8 2 6 70.65 1.49 1.3333 0 2 6 71.54 1.30 1.3189 -4 2 7 72.04 3.50 1.3110 2 4 3 72.25 4.14 1.3076 0 4 4 73.05 1.42 1.2954 1 5 0 76.20 5.79 1.2493 6 4 0 76.71 3.48 1.2423 -5 1 8 77.19 2.93 1.2359 8 2 1 77.46 2.74 1.2322 -9 3 3 77.67 1.18 1.2294 -9 3 4 79.20 1.88 1.2094 -10 2 2 79.81 1.90 1.2017 2 4 4 80.12 1.66 1.1978 3 5 1 80.47 1.45 1.1936 0 4 5 80.70 1.29 1.1906 7 1 3 81.01 2.24 1.1869 -3 3 7 81.19 1.86 1.1848 6 4 1 82.57 1.02 1.1684 4 2 5 82.67 1.09 1.1672 3 1 6 83.15 1.43 1.1618 -8 -4 4 84.23 1.79 1.1496 -6 4 6 85.28 2.26 1.1381 8 2 2 86.01 1.06 1.1302 -10 0 8 86.38 1.78 1.1264 -1 3 7 89.44 1.49 1.0956 -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.