Collinsite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140626 Brotherton P D, Maslen E N, Pryce M W, White A H Australian Journal of Chemistry 27 (1974) 653-656 Crystal structure of collinsite _database_code_amcsd 0012055 CELL PARAMETERS: 5.7140 6.7660 5.4350 97.260 108.560 107.270 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Mg 0.00000 0.00000 0.00000 1.000 0.882 Ca 0.30310 0.75900 0.65440 1.000 1.021 P 0.33360 0.24360 0.66330 1.000 0.843 O 0.33190 0.12760 0.89050 1.000 0.813 O 0.25490 0.07200 0.40280 1.000 0.975 O 0.15470 0.37400 0.63340 1.000 0.900 O 0.61850 0.38640 0.72120 1.000 0.829 O 0.94890 0.27760 0.06850 1.000 0.891 H 0.12000 0.39000 0.15000 1.000 0.458 H 0.77000 0.28000 0.89000 1.000 0.111 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 5 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 6.496890628 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.13 16.19 6.2657 0 1 0 17.54 5.98 5.0568 1 0 0 17.75 29.62 4.9966 0 0 1 18.17 1.77 4.8824 -1 1 0 19.74 15.93 4.4980 -1 0 1 23.17 2.90 3.8388 -1 1 1 25.37 10.49 3.5112 0 1 1 25.50 10.51 3.4934 -1 -1 1 27.60 37.61 3.2319 -1 2 0 27.66 11.00 3.2250 1 -1 1 28.49 59.40 3.1329 0 2 0 29.48 100.00 3.0304 1 0 1 29.73 33.54 3.0046 0 -2 1 32.63 5.61 2.7439 -2 1 1 32.83 49.34 2.7282 1 -2 1 33.16 62.59 2.7016 -2 0 1 33.19 35.56 2.6994 -1 2 1 33.51 59.40 2.6740 -1 0 2 35.28 5.53 2.5440 0 -1 2 35.50 20.76 2.5284 2 0 0 35.55 1.13 2.5255 -1 -1 2 35.95 1.42 2.4983 0 0 2 36.54 8.29 2.4589 -1 -2 1 37.50 8.47 2.3982 -1 1 2 38.13 11.37 2.3599 -2 2 1 39.50 22.08 2.2813 -2 -1 1 40.09 1.02 2.2490 -2 0 2 40.31 2.75 2.2374 0 -2 2 40.38 28.06 2.2334 -1 3 0 41.28 12.72 2.1869 -2 1 2 42.08 4.70 2.1474 0 1 2 42.45 7.15 2.1292 2 -1 1 42.65 2.74 2.1198 0 -3 1 42.86 22.60 2.1098 -1 -2 2 43.32 2.07 2.0886 0 3 0 43.44 13.01 2.0831 1 -1 2 44.00 1.98 2.0578 2 -2 1 44.11 10.44 2.0530 -2 -1 2 45.34 7.97 2.0004 -2 3 0 45.64 11.56 1.9878 1 -2 2 45.91 4.39 1.9766 2 0 1 46.06 1.22 1.9705 -1 3 1 46.18 16.06 1.9656 -1 2 2 47.36 2.69 1.9194 -2 2 2 47.78 1.21 1.9035 -3 1 1 48.81 18.46 1.8660 1 2 1 49.80 12.09 1.8311 -2 -2 1 49.94 5.51 1.8264 -1 -3 1 49.96 4.94 1.8254 -3 2 1 50.19 6.51 1.8177 2 -3 1 50.80 2.06 1.7974 -3 1 0 50.87 2.74 1.7949 -1 0 3 50.99 5.21 1.7910 -1 -1 3 51.37 2.96 1.7788 0 3 1 51.54 6.73 1.7731 -3 2 0 51.93 3.26 1.7608 -3 1 2 52.10 15.39 1.7556 0 2 2 52.28 2.28 1.7497 1 -3 2 52.38 4.29 1.7467 -2 -2 2 52.90 1.58 1.7309 -3 0 2 54.17 11.77 1.6932 2 2 0 54.43 16.71 1.6856 3 0 0 55.14 17.96 1.6655 0 0 3 55.29 7.48 1.6615 -3 2 2 55.40 10.12 1.6584 1 -4 1 55.44 11.41 1.6574 -1 -2 3 55.84 7.24 1.6465 0 -2 3 56.35 5.72 1.6326 -3 3 1 56.55 2.71 1.6275 -3 3 0 57.12 1.68 1.6125 2 -2 2 57.12 1.66 1.6125 2 -1 2 57.94 2.08 1.5916 -1 3 2 58.96 3.22 1.5664 0 4 0 59.65 4.20 1.5501 3 -2 1 60.41 12.04 1.5323 -2 4 1 61.17 3.51 1.5152 2 0 2 61.31 3.19 1.5120 -2 -2 3 61.77 3.77 1.5017 -2 2 3 61.89 1.55 1.4993 -3 0 3 62.37 1.15 1.4888 1 -4 2 62.50 3.02 1.4859 -3 3 2 63.05 2.05 1.4743 3 -3 1 63.09 1.33 1.4735 -1 2 3 63.68 3.66 1.4613 1 2 2 65.17 2.64 1.4315 -3 4 0 65.87 2.37 1.4179 -4 1 1 65.98 5.32 1.4158 -4 2 1 66.74 4.75 1.4015 -3 -2 2 67.05 7.61 1.3959 -1 -4 2 68.38 1.34 1.3720 -4 2 2 68.83 13.37 1.3641 2 -4 2 69.49 1.42 1.3526 -4 2 0 69.51 1.61 1.3523 -1 -1 4 69.51 1.85 1.3523 -4 0 1 69.60 3.22 1.3508 -4 0 2 69.66 2.02 1.3497 -2 4 2 69.84 1.46 1.3468 -4 3 1 70.17 1.69 1.3412 0 2 3 70.42 5.85 1.3370 -2 0 4 70.54 1.11 1.3351 -1 0 4 71.03 1.29 1.3271 -2 -1 4 71.98 5.21 1.3119 0 -4 3 72.02 4.18 1.3113 -1 4 2 72.55 4.77 1.3030 -3 -2 3 72.59 2.26 1.3023 3 2 0 72.63 1.04 1.3017 3 1 1 72.94 1.57 1.2970 -3 4 2 74.19 1.18 1.2782 -1 3 3 74.61 1.80 1.2720 0 -2 4 75.25 1.63 1.2628 -2 -2 4 76.22 2.06 1.2492 0 0 4 77.18 1.26 1.2359 -4 4 1 77.78 5.16 1.2279 -2 -4 1 78.09 1.17 1.2238 2 3 1 78.20 6.06 1.2223 1 4 1 78.56 1.78 1.2177 4 -2 1 79.66 1.28 1.2037 2 -5 2 79.66 4.57 1.2036 2 2 2 80.01 1.01 1.1993 2 0 3 80.24 1.17 1.1964 -4 -1 3 80.61 1.16 1.1918 4 -1 1 81.59 2.61 1.1799 -4 4 2 82.18 2.65 1.1729 -3 2 4 82.46 1.40 1.1697 1 -2 4 82.67 1.06 1.1673 -1 -5 2 83.04 1.16 1.1629 1 -1 4 83.20 1.12 1.1612 4 1 0 83.77 1.30 1.1547 3 2 1 84.69 2.09 1.1445 0 -5 3 84.99 1.54 1.1412 4 -4 1 85.00 2.91 1.1412 -3 4 3 85.36 1.38 1.1372 1 -3 4 86.14 2.13 1.1289 4 0 1 86.56 1.08 1.1245 -4 0 4 87.11 2.44 1.1188 1 0 4 88.47 1.30 1.1051 -4 -2 3 88.51 1.04 1.1047 -1 5 2 89.67 1.08 1.0934 -4 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.