Monticellite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100108 Lager G A, Meagher E P American Mineralogist 63 (1978) 365-377 High-temperature structural study of six olivines T = 25 deg C, sample is from Crestmore, California, USA Note: Si-y altered to reproduce reported bond lengths _database_code_amcsd 0000646 CELL PARAMETERS: 4.8635 11.1240 6.4270 90.000 90.000 90.000 SPACE GROUP: Pbnm ATOM X Y Z OCCUPANCY ISO(B) Mg 0.00000 0.00000 0.00000 0.930 0.296 Fe 0.00000 0.00000 0.00000 0.070 0.296 Ca 0.97710 0.27660 0.25000 1.000 0.392 Si 0.41100 0.08150 0.25000 1.000 0.290 O 0.74600 0.07680 0.25000 1.000 0.462 O 0.24660 0.44910 0.25000 1.000 0.542 O 0.27250 0.14660 0.04510 1.000 0.562 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: 10.09788760 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.93 15.06 5.5620 0 2 0 19.92 1.15 4.4562 1 1 0 21.12 27.99 4.2058 0 2 1 22.93 13.60 3.8782 1 0 1 24.31 49.66 3.6621 1 1 1 24.31 17.89 3.6612 1 2 0 27.76 26.43 3.2135 0 0 2 28.05 9.92 3.1812 1 2 1 30.31 46.12 2.9487 1 3 0 32.17 7.26 2.7825 0 2 2 32.19 2.38 2.7810 0 4 0 33.43 100.00 2.6801 1 3 1 34.41 72.29 2.6065 1 1 2 35.16 24.64 2.5523 0 4 1 36.97 1.42 2.4318 2 0 0 37.23 22.92 2.4152 1 2 2 37.24 13.81 2.4142 1 4 0 37.87 8.79 2.3756 2 1 0 39.89 1.28 2.2600 1 4 1 40.48 7.16 2.2283 2 1 1 40.49 2.12 2.2281 2 2 0 41.57 2.33 2.1727 1 3 2 42.96 2.48 2.1052 2 2 1 43.01 1.01 2.1029 0 4 2 44.56 1.65 2.0335 2 3 0 44.80 1.96 2.0232 1 5 0 46.85 1.55 1.9391 2 0 2 47.07 9.04 1.9308 1 1 3 47.09 2.23 1.9298 1 5 1 47.60 2.96 1.9103 2 1 2 49.28 4.21 1.8490 1 2 3 49.80 57.84 1.8310 2 2 2 49.81 24.36 1.8306 2 4 0 51.29 8.32 1.7814 0 6 1 51.94 10.84 1.7606 2 4 1 52.82 22.53 1.7332 1 3 3 52.85 2.99 1.7324 1 6 0 53.52 9.03 1.7121 1 5 2 54.03 11.47 1.6971 0 4 3 57.34 23.31 1.6068 0 0 4 57.38 32.20 1.6059 0 6 2 57.44 2.78 1.6042 3 1 0 57.52 1.06 1.6024 1 4 3 57.97 1.43 1.5910 2 1 3 57.98 2.27 1.5906 2 4 2 57.99 4.31 1.5904 2 5 1 59.38 7.18 1.5565 3 1 1 59.38 1.46 1.5564 3 2 0 61.28 3.51 1.5127 3 2 1 61.38 13.98 1.5106 1 7 0 62.53 2.47 1.4854 3 3 0 63.66 2.59 1.4618 2 5 2 64.37 2.51 1.4473 3 3 1 64.89 1.02 1.4370 2 6 1 64.97 4.08 1.4353 3 1 2 66.24 6.93 1.4109 1 3 4 66.72 1.11 1.4019 0 6 3 66.78 13.61 1.4008 3 2 2 66.79 4.02 1.4006 3 4 0 67.27 1.94 1.3917 2 4 3 67.30 1.86 1.3912 0 4 4 68.58 2.32 1.3685 3 4 1 68.66 3.16 1.3671 1 7 2 70.21 2.44 1.3406 2 0 4 70.24 2.33 1.3401 2 6 2 70.79 1.67 1.3309 2 1 4 72.55 2.01 1.3030 2 5 3 73.79 2.09 1.2841 3 1 3 73.80 1.89 1.2839 3 4 2 73.81 1.13 1.2838 3 5 1 74.33 4.45 1.2762 0 8 2 75.50 1.15 1.2592 3 2 3 75.98 1.44 1.2524 0 2 5 76.68 1.07 1.2427 1 0 5 77.25 1.02 1.2350 1 1 5 77.30 2.24 1.2344 1 8 2 78.33 1.68 1.2207 3 3 3 78.35 1.80 1.2204 3 6 0 78.70 3.26 1.2159 4 0 0 78.80 2.09 1.2145 2 6 3 78.90 5.68 1.2132 3 5 2 79.35 6.30 1.2076 2 4 4 79.38 1.20 1.2071 2 8 0 80.03 1.82 1.1990 3 6 1 81.06 1.95 1.1864 2 8 1 81.73 5.90 1.1783 1 3 5 81.78 1.20 1.1776 1 9 1 82.24 3.55 1.1723 3 4 3 82.71 1.19 1.1668 0 4 5 85.54 1.13 1.1352 3 1 4 85.58 3.01 1.1348 3 7 0 85.91 2.43 1.1313 4 1 2 86.76 5.64 1.1225 1 9 2 87.20 2.04 1.1179 3 2 4 87.21 1.42 1.1178 3 5 3 87.57 3.13 1.1141 4 2 2 87.58 1.34 1.1141 4 4 0 88.93 9.40 1.1006 1 7 4 89.39 3.70 1.0961 0 10 1 89.95 2.16 1.0907 3 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.