Svabite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050180 Baikie T, Mercier P H J, Elcombe M M, Kim J Y, Le Page Y, Mitchell L D, White T J, Whitfield P S Acta Crystallographica B63 (2007) 251-256 Triclinic apatites Locality: synthetic _database_code_amcsd 0009953 CELL PARAMETERS: 9.7620 9.7620 6.9170 90.000 90.000 120.000 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.23400 0.99000 0.24900 1.000 1.300 Ca 0.00500 0.25100 0.26200 1.000 1.300 Ca 0.77000 0.76700 0.24500 1.000 1.300 Ca 0.34500 0.65300 0.00300 1.000 1.300 Ca 0.34300 0.68100 0.49900 1.000 1.300 As 0.39800 0.37400 0.26100 1.000 0.600 As 0.62800 0.02400 0.23900 1.000 0.600 As 0.97500 0.60600 0.24300 1.000 0.600 O 0.31100 0.48000 0.27500 1.000 1.000 O 0.51000 0.82700 0.24300 1.000 1.000 O 0.17300 0.68100 0.22600 1.000 1.000 O 0.60400 0.47500 0.27700 1.000 1.000 O 0.53000 0.12400 0.22000 1.000 1.000 O 0.87800 0.40700 0.27400 1.000 1.000 O 0.35100 0.26300 0.06300 1.000 1.000 O 0.77400 0.07900 0.07200 1.000 1.000 O 0.90500 0.63900 0.04000 1.000 1.000 O 0.66900 0.76600 0.55200 1.000 1.000 O 0.27400 0.90700 0.55500 1.000 1.000 O 0.06800 0.30100 0.58400 1.000 1.000 F 0.00700 0.00700 0.24500 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 27.64871735 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.46 4.85 8.4541 0 1 0 10.46 5.05 8.4541 1 0 0 10.46 4.13 8.4541 -1 1 0 16.56 1.27 5.3535 1 -1 1 18.18 4.40 4.8810 1 1 0 18.18 4.04 4.8810 -2 1 0 18.18 5.56 4.8810 -1 2 0 22.29 9.24 3.9881 1 1 1 22.29 10.34 3.9881 2 -1 1 22.29 12.83 3.9881 -1 -1 1 22.29 8.33 3.9881 -1 2 1 22.29 10.33 3.9881 -2 1 1 22.29 10.58 3.9881 1 -2 1 24.68 1.71 3.6069 2 -2 1 24.68 1.02 3.6069 0 -2 1 25.76 44.77 3.4585 0 0 2 27.92 5.15 3.1954 2 1 0 27.92 3.53 3.1954 -1 3 0 27.92 2.85 3.1954 -3 2 0 30.82 3.90 2.9008 1 2 1 30.82 11.60 2.9008 2 1 1 30.82 12.85 2.9008 -2 -1 1 30.82 5.21 2.9008 -1 -2 1 30.82 6.24 2.9008 -2 3 1 30.82 12.65 2.9008 3 -2 1 30.82 4.05 2.9008 3 -1 1 30.82 10.44 2.9008 -1 3 1 30.82 6.10 2.9008 -3 1 1 30.82 13.44 2.9008 1 -3 1 30.82 3.07 2.9008 2 -3 1 30.82 10.46 2.9008 -3 2 1 31.71 7.93 2.8219 1 1 2 31.71 5.81 2.8219 -2 1 2 31.71 6.42 2.8219 2 -1 2 31.71 5.59 2.8219 -1 -1 2 31.71 6.40 2.8219 -1 2 2 31.71 8.61 2.8219 1 -2 2 31.75 17.73 2.8180 3 0 0 31.75 18.64 2.8180 0 3 0 31.75 18.67 2.8180 -3 3 0 33.48 3.14 2.6767 -2 0 2 33.48 5.63 2.6767 2 0 2 33.48 2.98 2.6767 0 -2 2 33.48 7.42 2.6767 0 2 2 33.48 4.56 2.6767 2 -2 2 33.48 5.76 2.6767 -2 2 2 34.36 1.38 2.6098 -3 0 1 34.36 1.39 2.6098 0 -3 1 34.36 1.04 2.6098 -3 3 1 38.39 1.10 2.3448 1 3 0 38.39 2.33 2.3448 3 1 0 38.39 1.05 2.3448 -4 1 0 38.39 2.55 2.3448 -1 4 0 38.39 2.16 2.3448 -4 3 0 39.14 1.94 2.3015 2 2 1 39.14 3.82 2.3015 -2 -2 1 39.14 3.47 2.3015 2 -4 1 39.14 2.12 2.3015 -4 2 1 39.14 2.78 2.3015 4 -2 1 40.63 2.48 2.2206 1 3 1 40.63 1.85 2.2206 -1 -3 1 40.63 3.14 2.2206 -4 1 1 40.63 1.74 2.2206 3 -4 1 40.63 2.45 2.2206 4 -1 1 40.63 3.48 2.2206 -3 4 1 45.49 3.22 1.9940 2 2 2 45.49 4.00 1.9940 -2 -2 2 45.49 3.05 1.9940 -2 4 2 45.49 3.25 1.9940 4 -2 2 45.49 3.19 1.9940 2 -4 2 45.49 3.55 1.9940 -4 2 2 46.84 1.11 1.9395 3 2 0 46.84 2.50 1.9395 -5 3 0 48.70 1.28 1.8697 1 2 3 48.70 3.44 1.8697 -2 -1 3 48.70 1.41 1.8697 2 -3 3 48.70 1.30 1.8697 -2 3 3 48.70 4.34 1.8697 2 1 3 48.70 4.10 1.8697 3 -2 3 48.70 1.58 1.8697 3 -1 3 48.70 1.77 1.8697 -1 -2 3 48.70 3.84 1.8697 -1 3 3 48.70 1.48 1.8697 -3 1 3 48.70 3.00 1.8697 -3 2 3 48.70 3.85 1.8697 1 -3 3 48.76 1.60 1.8675 -2 -3 1 48.76 1.33 1.8675 -2 5 1 48.76 1.18 1.8675 -5 2 1 48.76 1.18 1.8675 5 -2 1 48.76 2.17 1.8675 3 -5 1 49.40 1.47 1.8448 1 4 0 49.40 1.08 1.8448 -5 1 0 52.95 13.69 1.7292 0 0 4 54.22 3.08 1.6917 3 2 2 54.22 4.13 1.6917 -3 -2 2 54.22 3.14 1.6917 2 -5 2 54.22 2.27 1.6917 -2 5 2 54.22 2.36 1.6917 5 -3 2 54.22 2.73 1.6917 -5 3 2 54.25 2.26 1.6908 5 0 0 54.25 1.46 1.6908 0 5 0 55.93 1.02 1.6440 1 3 3 55.93 1.43 1.6440 4 -1 3 55.93 1.23 1.6440 -1 4 3 57.70 1.72 1.5977 2 4 0 57.70 1.56 1.5977 -4 6 0 57.70 1.28 1.5977 -6 2 0 59.37 1.18 1.5567 2 4 1 59.37 1.86 1.5567 -2 -4 1 59.37 1.06 1.5567 -6 2 1 59.37 1.31 1.5567 -2 6 1 59.37 1.87 1.5567 4 -6 1 59.37 1.26 1.5567 -4 6 1 59.37 1.31 1.5567 6 -2 1 61.00 2.85 1.5190 -5 0 2 61.00 2.73 1.5190 5 0 2 61.00 2.51 1.5190 0 -5 2 61.00 3.10 1.5190 0 5 2 61.00 2.67 1.5190 5 -5 2 61.00 3.19 1.5190 -5 5 2 62.64 1.21 1.4831 -5 -1 1 62.64 1.60 1.4831 1 -6 1 62.64 1.38 1.4831 6 -5 1 63.07 1.12 1.4739 3 0 4 63.07 2.02 1.4739 -3 0 4 63.07 1.64 1.4739 0 -3 4 63.07 1.79 1.4739 0 3 4 63.07 1.24 1.4739 3 -3 4 63.07 2.65 1.4739 -3 3 4 68.91 1.15 1.3626 4 3 1 68.91 1.83 1.3626 -4 -3 1 68.91 1.78 1.3626 -7 4 1 68.91 1.27 1.3626 3 -7 1 68.91 1.52 1.3626 -3 7 1 71.90 1.59 1.3132 2 4 3 71.90 1.33 1.3132 -4 6 3 80.73 1.14 1.1903 -4 -3 3 80.73 1.19 1.1903 7 -4 3 80.73 1.11 1.1903 3 -7 3 83.94 1.41 1.1528 0 0 6 85.08 1.06 1.1402 -3 -5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.