Monticellite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100106 Kimata M, Nishida N Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 160-170 The crystal structure of Co-monticellite Ca1.255Co0.745SiO4 and its significance as a solid solution crystal Note: sample is synthetic _database_code_amcsd 0014814 CELL PARAMETERS: 4.8315 11.1170 6.3928 90.000 90.000 90.000 SPACE GROUP: Pbnm ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.00000 0.00000 0.255 0.676 Co 0.00000 0.00000 0.00000 0.745 0.676 Ca 0.97936 0.27692 0.25000 1.000 0.710 Si 0.41477 0.08390 0.25000 1.000 0.699 O 0.74771 0.08083 0.25000 1.000 1.012 O 0.23605 0.45087 0.25000 1.000 0.978 O 0.28073 0.15063 0.04801 1.000 0.907 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 10 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 17.00299791 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.94 51.04 5.5585 0 2 0 20.04 14.58 4.4311 1 1 0 21.18 18.82 4.1946 0 2 1 23.07 8.45 3.8545 1 0 1 24.41 9.48 3.6465 1 2 0 24.44 28.39 3.6418 1 1 1 27.91 2.74 3.1964 0 0 2 28.17 5.14 3.1675 1 2 1 30.40 70.99 2.9404 1 3 0 32.21 9.43 2.7792 0 4 0 32.31 22.93 2.7709 0 2 2 33.55 57.58 2.6714 1 3 1 34.60 100.00 2.5923 1 1 2 35.21 13.19 2.5488 0 4 1 37.22 6.90 2.4158 2 0 0 37.33 9.01 2.4091 1 4 0 37.41 12.69 2.4037 1 2 2 38.12 5.45 2.3607 2 1 0 40.75 5.02 2.2145 2 1 1 41.74 14.37 2.1640 1 3 2 43.13 1.51 2.0973 0 4 2 43.22 1.40 2.0934 2 2 1 44.88 7.24 2.0198 1 5 0 47.19 1.82 1.9260 1 5 1 47.34 5.56 1.9204 1 1 3 47.90 1.10 1.8989 2 1 2 49.55 2.58 1.8398 1 2 3 50.03 24.40 1.8233 2 4 0 50.10 58.07 1.8209 2 2 2 51.34 5.75 1.7796 0 6 1 52.17 6.84 1.7533 2 4 1 52.93 1.32 1.7300 1 6 0 53.08 12.40 1.7255 1 3 3 53.68 15.07 1.7075 1 5 2 54.24 6.74 1.6911 0 4 3 57.49 28.44 1.6030 0 6 2 57.68 18.32 1.5982 0 0 4 57.85 5.54 1.5939 3 1 0 58.21 2.33 1.5849 2 5 1 58.26 6.14 1.5837 2 4 2 59.80 3.94 1.5465 3 1 1 60.25 2.66 1.5360 0 2 4 61.46 13.55 1.5087 1 7 0 61.69 1.64 1.5035 3 2 1 61.70 1.43 1.5034 1 1 4 62.92 4.00 1.4770 3 3 0 63.93 1.19 1.4563 2 5 2 64.78 1.92 1.4391 3 3 1 65.43 7.41 1.4264 3 1 2 66.60 9.80 1.4042 1 3 4 67.18 2.12 1.3935 3 4 0 67.24 6.80 1.3924 3 2 2 67.62 3.19 1.3855 0 4 4 67.62 1.04 1.3854 2 4 3 68.98 1.45 1.3615 3 4 1 70.50 4.79 1.3357 2 6 2 70.67 3.92 1.3329 2 0 4 72.90 1.11 1.2976 2 5 3 74.45 3.95 1.2744 0 8 2 75.92 2.51 1.2533 1 5 4 77.45 1.22 1.2323 1 8 2 78.85 1.23 1.2139 3 3 3 79.15 1.00 1.2101 2 6 3 79.32 2.97 1.2079 4 0 0 79.34 6.60 1.2076 3 5 2 79.58 2.05 1.2046 2 8 0 79.80 6.66 1.2018 2 4 4 80.42 1.09 1.1941 3 6 1 81.27 1.05 1.1837 2 8 1 82.22 3.08 1.1725 1 3 5 82.76 1.88 1.1662 3 4 3 85.96 3.51 1.1308 3 7 0 86.17 2.26 1.1286 3 1 4 86.60 1.40 1.1241 4 1 2 86.92 6.63 1.1208 1 9 2 87.83 1.13 1.1115 3 2 4 88.20 1.97 1.1078 4 4 0 88.25 4.07 1.1072 4 2 2 89.29 8.46 1.0971 1 7 4 89.48 1.91 1.0953 0 10 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.