Isokite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070526 Yang H, Zwick J, Downs R T, Costin G Acta Crystallographica C63 (2007) i89-i90 Isokite, CaMg(PO4)F0.8(OH)0.2, isomorphous with titanite Locality: Kjorrestad, near Bamle, Norway CELL PARAMETERS: 6.5109 8.7301 6.9046 90.000 112.246 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Mg 0.50000 0.00000 0.50000 1.000 0.773 Ca 0.50000 0.33652 0.25000 1.000 1.391 P 0.00000 0.17921 0.25000 1.000 0.599 O 0.10910 0.28009 0.13250 1.000 0.845 O 0.16900 0.07291 0.40920 1.000 0.916 F 0.50000 0.08302 0.25000 0.800 0.869 OH 0.50000 0.08302 0.25000 0.200 0.869 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 8 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 9.548145485 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 20.34 5.77 4.3650 0 2 0 24.70 2.93 3.6045 0 2 1 25.95 2.44 3.4340 1 1 1 27.92 32.53 3.1953 0 0 2 28.12 87.28 3.1738 -1 1 2 29.65 100.00 3.0131 2 0 0 32.21 31.35 2.7795 -2 0 2 34.22 74.08 2.6205 1 3 0 34.48 5.35 2.6012 -2 2 1 34.79 48.05 2.5783 0 2 2 36.23 3.80 2.4797 2 2 0 39.25 38.07 2.2955 1 3 1 40.55 18.88 2.2247 -1 1 3 40.78 17.24 2.2127 -1 3 2 43.04 5.33 2.1015 2 2 1 43.04 16.27 2.1014 -3 1 1 43.83 14.28 2.0654 0 4 1 44.47 18.59 2.0373 -3 1 2 46.38 4.73 1.9576 3 1 0 46.77 3.74 1.9425 -2 2 3 48.41 5.56 1.8802 1 3 2 48.76 10.71 1.8675 2 0 2 50.42 1.33 1.8100 -2 4 1 50.65 11.38 1.8022 0 4 2 51.71 1.42 1.7677 1 1 3 52.69 1.17 1.7371 -3 3 1 53.36 23.45 1.7170 2 2 2 53.37 23.03 1.7166 -2 4 2 53.82 11.86 1.7034 -2 0 4 53.92 8.14 1.7003 -3 3 2 54.59 2.01 1.6813 -1 1 4 55.14 2.55 1.6658 -1 5 1 55.59 28.11 1.6531 3 3 0 57.70 4.73 1.5977 0 0 4 59.49 13.02 1.5538 -1 5 2 60.34 3.37 1.5340 1 3 3 61.02 5.02 1.5184 -4 2 2 61.55 4.69 1.5066 4 0 0 62.23 3.25 1.4917 3 3 1 62.95 19.72 1.4764 -1 3 4 63.99 1.17 1.4550 0 6 0 64.33 3.91 1.4481 3 1 2 65.53 9.19 1.4245 1 5 2 65.82 2.02 1.4190 2 4 2 67.38 15.24 1.3897 -4 0 4 67.68 9.07 1.3844 -3 3 4 70.16 9.15 1.3413 -3 5 2 71.02 1.27 1.3273 -2 6 1 71.21 1.07 1.3242 0 6 2 71.61 2.88 1.3178 3 5 0 72.08 7.16 1.3102 2 6 0 72.70 4.05 1.3006 -4 4 2 74.47 8.82 1.2741 1 3 4 77.50 6.73 1.2317 2 0 4 78.16 2.73 1.2229 -1 5 4 79.16 1.62 1.2099 -3 3 5 79.29 1.44 1.2083 -2 6 3 80.04 2.71 1.1988 4 0 2 80.87 1.31 1.1886 -5 3 2 82.53 1.96 1.1689 -5 3 3 83.65 1.39 1.1560 4 2 2 86.62 1.67 1.1238 3 5 2 87.53 3.34 1.1145 -5 3 4 87.63 5.57 1.1135 5 3 0 87.71 4.99 1.1127 1 7 2 88.34 3.86 1.1064 -2 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.