Monticellite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100107 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: 4.8290 11.1160 6.3930 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 0.675 Co 0.00000 0.00000 0.00000 0.745 0.675 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 0.906 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: 17.01603433 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.95 51.05 5.5580 0 2 0 20.05 14.57 4.4291 1 1 0 21.18 18.82 4.1945 0 2 1 23.08 8.44 3.8533 1 0 1 24.42 9.47 3.6453 1 2 0 24.45 28.38 3.6407 1 1 1 27.91 2.74 3.1965 0 0 2 28.18 5.13 3.1667 1 2 1 30.41 70.97 2.9397 1 3 0 32.21 9.43 2.7790 0 4 0 32.31 22.94 2.7709 0 2 2 33.55 57.56 2.6708 1 3 1 34.61 100.00 2.5920 1 1 2 35.21 13.19 2.5486 0 4 1 37.24 6.89 2.4145 2 0 0 37.33 9.00 2.4086 1 4 0 37.42 12.69 2.4034 1 2 2 38.14 5.44 2.3595 2 1 0 40.76 5.01 2.2135 2 1 1 41.74 14.37 2.1638 1 3 2 43.13 1.51 2.0972 0 4 2 43.23 1.40 2.0926 2 2 1 44.88 7.24 2.0195 1 5 0 47.20 1.82 1.9257 1 5 1 47.34 5.56 1.9203 1 1 3 47.92 1.10 1.8983 2 1 2 49.55 2.58 1.8397 1 2 3 50.04 24.38 1.8227 2 4 0 50.11 58.03 1.8204 2 2 2 51.35 5.75 1.7795 0 6 1 52.18 6.83 1.7528 2 4 1 52.93 1.32 1.7297 1 6 0 53.08 12.40 1.7254 1 3 3 53.69 15.07 1.7073 1 5 2 54.24 6.74 1.6910 0 4 3 57.50 28.44 1.6029 0 6 2 57.68 18.33 1.5983 0 0 4 57.88 5.53 1.5931 3 1 0 58.23 2.33 1.5845 2 5 1 58.27 6.14 1.5833 2 4 2 59.83 3.94 1.5458 3 1 1 60.25 2.66 1.5360 0 2 4 61.47 13.55 1.5085 1 7 0 61.70 1.43 1.5034 1 1 4 61.73 1.64 1.5028 3 2 1 62.96 3.99 1.4764 3 3 0 63.94 1.19 1.4560 2 5 2 64.81 1.92 1.4385 3 3 1 65.46 7.40 1.4258 3 1 2 66.60 9.80 1.4041 1 3 4 67.21 2.12 1.3929 3 4 0 67.27 6.79 1.3919 3 2 2 67.62 3.19 1.3855 0 4 4 67.64 1.04 1.3851 2 4 3 69.01 1.45 1.3610 3 4 1 70.52 4.78 1.3354 2 6 2 70.68 3.92 1.3327 2 0 4 72.91 1.11 1.2974 2 5 3 74.45 3.95 1.2743 0 8 2 75.92 2.51 1.2532 1 5 4 77.46 1.22 1.2321 1 8 2 78.88 1.22 1.2136 3 3 3 79.16 1.00 1.2099 2 6 3 79.37 2.96 1.2072 4 0 0 79.37 6.60 1.2072 3 5 2 79.60 2.05 1.2043 2 8 0 79.81 6.66 1.2017 2 4 4 80.45 1.09 1.1937 3 6 1 81.29 1.05 1.1835 2 8 1 82.22 3.08 1.1725 1 3 5 82.79 1.88 1.1659 3 4 3 85.99 3.51 1.1305 3 7 0 86.20 2.26 1.1283 3 1 4 86.65 1.40 1.1236 4 1 2 86.93 6.63 1.1206 1 9 2 87.85 1.13 1.1112 3 2 4 88.25 1.97 1.1073 4 4 0 88.30 4.06 1.1068 4 2 2 89.29 8.46 1.0970 1 7 4 89.49 1.91 1.0952 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.