Latrappite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060345 Mitchell R H, Choi J B, Hawthorne F C, McCammon C A, Burns P C The Canadian Mineralogist 36 (1998) 107-116 Latrappite: A re-investigation CELL PARAMETERS: 5.4410 5.4930 7.7270 90.000 90.000 90.000 SPACE GROUP: Pbnm ATOM X Y Z OCCUPANCY ISO(B) Ca -0.00760 0.03590 0.25000 0.750 0.610 Na -0.00760 0.03590 0.25000 0.250 0.610 Nb 0.00000 0.50000 0.00000 0.570 0.400 Fe 0.00000 0.50000 0.00000 0.150 0.400 Ti 0.00000 0.50000 0.00000 0.280 0.400 O 0.07640 0.07640 0.25000 1.000 0.530 O 0.70870 0.28710 0.03640 1.000 0.500 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 5 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 98.64149142 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 22.99 / 23.05 4.36 / 2.18 3.8656 1 1 0 23.00 / 23.06 11.29 / 5.64 3.8635 0 0 2 25.75 / 25.81 2.32 / 1.16 3.4571 1 1 1 32.58 / 32.66 13.17 / 6.59 2.7465 0 2 0 32.74 / 32.83 100.00 / 50.00 2.7327 1 1 2 32.90 / 32.98 14.13 / 7.06 2.7205 2 0 0 34.63 / 34.72 1.95 / 0.97 2.5879 0 2 1 36.84 / 36.93 1.04 / 0.52 2.4379 2 1 0 38.64 / 38.74 1.30 / 0.65 2.3280 1 0 3 42.12 / 42.23 1.19 / 0.60 2.1434 1 1 3 46.97 / 47.10 20.82 / 10.41 1.9328 2 2 0 47.00 / 47.12 11.78 / 5.89 1.9318 0 0 4 48.41 / 48.54 1.34 / 0.67 1.8788 0 2 3 48.51 / 48.64 1.28 / 0.64 1.8750 2 2 1 52.70 / 52.84 2.01 / 1.01 1.7354 1 3 0 52.93 / 53.07 5.29 / 2.65 1.7286 2 2 2 52.94 / 53.09 1.27 / 0.63 1.7280 1 1 4 53.14 / 53.28 1.48 / 0.74 1.7222 3 1 0 54.12 / 54.27 1.82 / 0.91 1.6932 1 3 1 58.23 / 58.39 13.15 / 6.57 1.5830 1 3 2 58.35 / 58.51 5.56 / 2.78 1.5801 0 2 4 58.56 / 58.72 5.92 / 2.96 1.5751 2 0 4 58.64 / 58.80 14.41 / 7.20 1.5730 3 1 2 68.24 / 68.43 1.91 / 0.95 1.3733 0 4 0 68.63 / 68.83 9.66 / 4.83 1.3663 2 2 4 68.98 / 69.18 2.20 / 1.10 1.3602 4 0 0 73.07 / 73.28 1.37 / 0.69 1.2939 0 4 2 73.26 / 73.48 1.34 / 0.67 1.2910 1 3 4 73.63 / 73.84 1.01 / 0.51 1.2855 3 1 4 77.85 / 78.08 1.46 / 0.73 1.2259 2 4 0 78.12 / 78.36 3.67 / 1.84 1.2223 3 3 2 78.17 / 78.40 5.92 / 2.96 1.2218 1 1 6 78.38 / 78.62 1.82 / 0.91 1.2189 4 2 0 86.98 / 87.25 1.65 / 0.82 1.1193 0 4 4 87.67 / 87.94 1.98 / 0.99 1.1122 4 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.