Tiptopite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070609 Peacor D R, Rouse R C, Ahn J-H American Mineralogist 72 (1987) 816-820 Crystal structure of tiptopite, a framework beryllophosphate isotypic with basic cancrinite Note: U(1,2) for OH5 has been altered to match symmetry constraints. CELL PARAMETERS: 11.6470 11.6470 4.6900 90.000 90.000 120.000 SPACE GROUP: P6_3 ATOM X Y Z OCCUPANCY ISO(B) P 0.08510 0.41670 0.75000 1.000 0.676 Be 0.33800 0.41800 0.74600 1.000 0.798 O 0.19020 0.38430 0.65180 1.000 1.219 O 0.13780 0.56470 0.70270 1.000 0.974 O 0.05470 0.38010 0.06880 1.000 1.298 O 0.33020 0.37410 0.08620 1.000 0.904 K 0.33333 0.66667 0.25300 1.000 2.816 Li 0.22070 0.11370 0.74860 0.480 3.088 Na 0.22070 0.11370 0.74860 0.280 3.088 Ca 0.22070 0.11370 0.74860 0.120 3.088 OH 0.00000 0.00000 0.25300 1.000 2.842 OH 0.06400 0.13000 0.37800 0.250 1.579 OH 0.06600 0.13000 0.09700 0.250 1.579 OH 0.16800 0.32200 0.23600 0.170 1.579 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 11.80526614 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.21 6.98 5.8235 1 1 0 17.59 4.19 5.0433 2 0 0 20.89 10.46 4.2528 1 0 1 23.33 29.72 3.8124 1 2 0 23.33 1.55 3.8124 2 1 0 24.37 24.27 3.6527 1 1 1 25.94 15.12 3.4344 2 0 1 26.51 33.24 3.3622 3 0 0 30.21 25.41 2.9583 1 2 1 30.21 74.59 2.9583 2 1 1 32.77 2.54 2.7326 3 0 1 35.60 32.00 2.5216 4 0 0 37.43 1.31 2.4026 1 3 1 37.43 2.34 2.4026 3 1 1 38.39 23.55 2.3450 0 0 2 38.92 2.78 2.3140 3 2 0 40.62 14.91 2.2210 4 0 1 41.00 1.66 2.2011 1 4 0 41.00 1.89 2.2011 4 1 0 41.51 5.55 2.1753 1 1 2 43.62 7.64 2.0752 2 3 1 43.62 3.05 2.0752 3 2 1 45.41 2.47 1.9974 1 2 2 45.41 2.92 1.9974 2 1 2 45.52 1.32 1.9926 4 1 1 46.80 8.35 1.9412 3 3 0 49.94 1.35 1.8264 2 2 2 50.37 2.70 1.8116 1 5 0 50.91 1.92 1.7936 3 3 1 51.77 1.11 1.7659 2 4 1 51.77 1.44 1.7659 4 2 1 53.35 5.68 1.7172 4 0 2 54.28 3.75 1.6899 5 1 1 55.81 1.65 1.6471 3 2 2 57.42 4.19 1.6049 1 4 2 57.42 3.93 1.6049 4 1 2 60.16 1.56 1.5382 1 6 0 60.54 1.03 1.5293 5 0 2 60.64 3.45 1.5271 2 5 1 62.07 2.15 1.4953 3 3 2 62.17 1.10 1.4932 2 0 3 63.67 2.43 1.4616 6 1 1 63.67 4.79 1.4616 1 6 1 63.95 9.31 1.4559 4 4 0 64.41 1.79 1.4464 1 2 3 64.41 5.50 1.4464 2 1 3 70.22 1.28 1.3404 2 6 1 70.22 1.17 1.3404 6 2 1 70.48 1.13 1.3360 7 1 0 70.93 3.47 1.3287 4 0 3 73.04 3.32 1.2954 2 3 3 73.04 1.10 1.2954 3 2 3 77.11 5.63 1.2369 4 4 2 77.45 1.60 1.2323 2 7 0 81.29 1.06 1.1836 5 1 3 88.68 1.34 1.1030 3 7 1 89.35 1.54 1.0964 1 6 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.