Berlinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130243 Muraoka Y, Kihara K Physics and Chemistry of Minerals 24 (1997) 243-253 The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 25 C _database_code_amcsd 0007986 CELL PARAMETERS: 4.9390 4.9390 10.9460 90.000 90.000 120.000 ALTERNATE SETTING FOR SPACE GROUP: P3_221 ATOM X Y Z OCCUPANCY ISO(B) Al 0.46646 0.00000 0.33333 1.000 0.624 P 0.46690 0.00000 0.83333 1.000 0.624 O 0.41637 0.29187 0.26921 1.000 1.145 O 0.41549 0.25741 0.78285 1.000 1.129 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 33.84189353 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 20.77 21.12 4.2773 1 0 0 22.32 1.92 3.9839 0 1 1 22.32 1.01 3.9839 1 0 1 26.45 28.18 3.3702 0 1 2 26.45 71.82 3.3702 1 0 2 36.38 7.44 2.4695 1 1 0 39.08 7.10 2.3051 0 1 4 39.08 1.19 2.3051 1 0 4 40.06 3.91 2.2510 1 1 2 42.26 6.08 2.1386 2 0 0 45.54 1.91 1.9920 0 2 2 49.73 11.16 1.8333 1 1 4 54.45 1.02 1.6851 0 2 4 54.45 3.23 1.6851 2 0 4 54.70 1.70 1.6781 1 0 6 59.63 4.72 1.5504 2 1 2 59.63 4.17 1.5504 1 2 2 63.39 1.93 1.4674 1 1 6 67.26 4.43 1.3919 2 1 4 67.26 1.21 1.3919 1 2 4 67.48 4.88 1.3880 0 2 6 67.48 1.17 1.3880 2 0 6 67.94 4.55 1.3797 3 0 2 72.54 1.85 1.3032 0 1 8 75.13 1.98 1.2644 0 3 4 79.16 2.31 1.2099 1 2 6 80.20 2.10 1.1968 1 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.