Peprossiite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110144 Callegari A, Caucia F, Mazzi F, Oberti R, Ottolini L, Ungaretti L American Mineralogist 85 (2000) 586-593 The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like borate with square-pyramidal coordination for Al Sample: Pep1 _database_code_amcsd 0002424 CELL PARAMETERS: 4.6540 4.6540 9.4140 90.000 90.000 120.000 SPACE GROUP: P-62m ATOM X Y Z OCCUPANCY ISO(B) Pr 0.00000 0.00000 0.00000 0.818 0.861 Ca 0.00000 0.00000 0.00000 0.102 0.861 Al 0.38890 0.00000 0.50000 0.667 0.404 B 0.33333 0.66667 0.22020 0.967 0.566 Si 0.33333 0.66667 0.22020 0.033 0.566 O 0.33333 0.66667 0.37540 1.000 0.626 O 0.42150 0.00000 0.16120 1.000 0.815 O 0.00000 0.00000 0.50000 0.667 0.468 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 34.28515032 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.39 34.81 9.4140 0 0 1 18.85 19.29 4.7070 0 0 2 22.05 5.01 4.0305 1 0 0 24.02 100.00 3.7052 1 0 1 29.17 88.67 3.0615 1 0 2 36.28 35.49 2.4760 1 0 3 38.24 2.19 2.3535 0 0 4 38.69 33.05 2.3270 1 1 0 39.91 8.83 2.2590 1 1 1 43.38 10.86 2.0860 1 1 2 44.58 27.19 2.0324 1 0 4 44.98 16.55 2.0152 2 0 0 46.06 19.41 1.9706 2 0 1 48.34 3.47 1.8828 0 0 5 48.72 40.89 1.8691 1 1 3 49.18 16.83 1.8526 2 0 2 53.73 3.91 1.7059 1 0 5 55.54 4.62 1.6547 1 1 4 58.86 4.84 1.5690 0 0 6 60.48 7.73 1.5307 2 0 4 60.80 3.65 1.5234 2 1 0 61.68 11.80 1.5038 2 1 1 63.56 12.76 1.4637 1 1 5 63.64 3.97 1.4621 1 0 6 64.27 14.50 1.4494 2 1 2 68.16 1.48 1.3758 2 0 5 68.46 8.83 1.3704 2 1 3 70.03 9.18 1.3435 3 0 0 72.68 2.46 1.3009 1 1 6 73.27 3.68 1.2919 3 0 2 74.14 9.07 1.2789 2 1 4 74.36 4.16 1.2757 1 0 7 77.03 8.25 1.2380 2 0 6 81.23 2.13 1.1843 2 1 5 81.86 1.24 1.1767 0 0 8 82.71 2.58 1.1668 3 0 4 82.99 1.18 1.1635 2 2 0 86.07 1.30 1.1296 1 0 8 87.13 2.99 1.1186 2 0 7 87.97 1.52 1.1101 3 1 1 89.65 2.38 1.0936 3 0 5 89.72 4.50 1.0930 2 1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.