Stillwellite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060911 Voronkov A A, Pyatenko Y A Soviet Physics Crystallography 12 (1967) 214-220 X-ray diffraction study of the atomic structure of stillwellite CeBO[SiO4] Locality: Soviet _database_code_amcsd 0018733 CELL PARAMETERS: 6.8920 6.8920 6.7030 90.000 90.000 120.000 SPACE GROUP: P3_1 ATOM X Y Z OCCUPANCY ISO(B) Ce 0.58700 0.00000 0.00000 1.000 1.500 B 0.11300 0.00000 0.97300 1.000 0.500 Si 0.58500 0.00000 0.50000 1.000 0.500 O 0.33900 0.19400 0.02300 1.000 1.000 O 0.19500 0.33900 0.31000 1.000 1.000 O 0.61300 0.46400 0.32000 1.000 1.000 O 0.46400 0.61400 0.01400 1.000 1.000 O 0.05100 0.05100 0.78100 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 54.48121368 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.84 10.91 5.9686 1 0 0 19.92 70.19 4.4576 0 1 1 19.92 20.54 4.4576 1 0 1 25.85 86.76 3.4460 1 1 0 29.14 7.78 3.0647 2 -1 1 29.14 6.13 3.0647 1 1 1 29.94 56.82 2.9843 2 0 0 30.59 17.17 2.9223 0 1 2 30.59 82.83 2.9223 1 0 2 32.85 2.22 2.7263 0 2 1 32.85 11.28 2.7263 2 0 1 37.43 7.22 2.4026 1 1 2 37.43 9.77 2.4026 2 -1 2 39.96 8.01 2.2559 1 2 0 39.96 8.04 2.2559 2 1 0 40.37 15.69 2.2343 0 0 3 40.47 16.73 2.2288 0 2 2 40.47 4.38 2.2288 2 0 2 42.27 5.93 2.1381 1 2 1 42.27 8.14 2.1381 -1 3 1 42.27 19.44 2.1381 2 1 1 42.27 17.72 2.1381 3 -1 1 43.24 1.80 2.0925 0 1 3 43.24 1.92 2.0925 1 0 3 45.60 3.21 1.9895 3 0 0 47.68 10.56 1.9073 0 3 1 48.56 5.71 1.8747 1 1 3 48.56 8.22 1.8747 2 -1 3 48.65 19.52 1.8715 -1 3 2 48.65 21.98 1.8715 1 2 2 48.65 7.61 1.8715 2 1 2 48.65 10.38 1.8715 3 -1 2 51.06 1.68 1.7886 0 2 3 51.06 3.80 1.7886 2 0 3 53.16 4.91 1.7230 2 2 0 53.57 13.20 1.7108 3 0 2 55.03 2.68 1.6688 4 -2 1 55.03 3.44 1.6688 2 2 1 55.51 10.29 1.6554 3 1 0 55.51 10.33 1.6554 1 3 0 57.09 8.33 1.6134 0 1 4 57.09 1.76 1.6134 1 0 4 57.33 1.24 1.6071 1 3 1 58.11 1.68 1.5875 1 2 3 58.11 1.09 1.5875 2 1 3 60.41 4.57 1.5324 4 -2 2 60.41 5.69 1.5324 2 2 2 61.53 2.13 1.5070 1 1 4 61.53 2.53 1.5070 2 -1 4 62.59 2.10 1.4842 3 1 2 62.59 1.40 1.4842 4 -1 2 63.69 1.19 1.4612 0 2 4 63.69 4.72 1.4612 2 0 4 63.92 4.21 1.4565 4 0 1 68.53 1.84 1.3693 3 2 0 68.53 1.85 1.3693 2 3 0 68.81 1.10 1.3644 2 2 3 68.88 8.11 1.3632 0 4 2 69.93 4.78 1.3452 3 -1 4 69.93 2.42 1.3452 1 2 4 69.93 5.34 1.3452 2 1 4 69.93 2.77 1.3452 -1 3 4 70.15 1.37 1.3416 5 -2 1 70.15 1.05 1.3416 3 2 1 70.84 1.85 1.3301 -1 4 3 70.84 1.26 1.3301 1 3 3 70.84 1.45 1.3301 3 1 3 70.84 2.09 1.3301 4 -1 3 72.23 2.26 1.3080 1 0 5 73.95 4.99 1.2817 0 3 4 74.16 1.99 1.2786 -1 5 1 74.16 1.52 1.2786 1 4 1 74.92 3.21 1.2676 -2 5 2 74.92 2.53 1.2676 2 3 2 74.92 1.05 1.2676 3 2 2 78.84 3.67 1.2140 4 1 2 78.84 4.56 1.2140 5 -1 2 79.84 2.58 1.2013 2 2 4 79.84 2.51 1.2013 4 -2 4 80.45 4.51 1.1937 5 0 0 83.97 1.14 1.1525 1 2 5 87.27 1.75 1.1172 0 0 6 87.54 3.97 1.1144 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.