Lorenzenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130051 Sundberg M R, Lehtinen M, Kivekas R American Mineralogist 72 (1987) 173-177 Refinement of the crystal structure of ramsayite (lorenzenite) _database_code_amcsd 0001064 CELL PARAMETERS: 8.7110 5.2320 14.5030 90.000 90.000 90.000 SPACE GROUP: Pbcn ATOM X Y Z OCCUPANCY ISO(B) Na 0.06430 0.64500 0.15370 1.000 1.042 Ti 0.15130 0.13220 0.33090 1.000 0.342 Si 0.34210 0.29610 0.52670 1.000 0.437 O 0.00000 0.00600 0.25000 1.000 0.674 O 0.18170 0.44070 0.27580 1.000 0.663 O 0.33360 0.29670 0.41520 1.000 0.563 O 0.00890 0.24280 0.42800 1.000 0.742 O 0.23570 0.05980 0.56700 1.000 0.605 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 4 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 15.36543275 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.90 32.64 5.5732 1 0 2 19.79 10.85 4.4852 1 1 0 20.39 8.93 4.3555 2 0 0 20.73 10.50 4.2849 1 1 1 23.83 3.29 3.7338 2 0 2 26.63 57.67 3.3474 1 0 4 27.12 1.93 3.2880 1 1 3 27.34 3.32 3.2617 2 1 1 29.39 26.70 3.0392 2 1 2 31.73 1.07 2.8197 1 1 4 32.12 1.69 2.7866 2 0 4 32.54 100.00 2.7521 2 1 3 34.28 4.53 2.6160 0 2 0 34.85 16.39 2.5745 0 2 1 35.35 6.87 2.5389 3 1 0 35.91 13.02 2.5008 3 1 1 36.51 15.90 2.4608 0 2 2 36.53 14.12 2.4595 2 1 4 36.90 6.95 2.4356 1 1 5 37.20 1.69 2.4172 0 0 6 37.53 3.49 2.3963 3 1 2 38.00 1.45 2.3681 1 2 2 39.77 2.38 2.2664 3 0 4 40.12 6.22 2.2478 3 1 3 40.55 11.64 2.2245 1 2 3 40.71 1.93 2.2162 2 2 1 41.18 2.89 2.1921 2 1 5 41.46 2.27 2.1778 4 0 0 43.52 9.20 2.0797 3 1 4 43.93 1.59 2.0612 1 2 4 45.55 7.32 1.9915 4 1 1 46.33 2.54 1.9597 2 1 6 46.76 15.88 1.9426 0 2 5 47.18 1.84 1.9263 3 2 1 47.60 5.75 1.9104 3 1 5 47.68 1.10 1.9072 2 2 4 48.39 4.41 1.8809 1 1 7 49.07 3.20 1.8564 4 1 3 50.33 2.29 1.8129 0 0 8 51.49 1.35 1.7748 1 0 8 51.90 1.80 1.7617 2 1 7 52.25 10.47 1.7506 3 1 6 52.61 1.48 1.7396 1 2 6 54.14 10.33 1.6940 5 0 2 54.85 1.54 1.6737 4 2 0 55.25 4.57 1.6627 4 2 1 56.67 9.73 1.6242 0 2 7 56.91 8.70 1.6179 4 0 6 57.13 1.86 1.6122 1 3 3 57.26 6.33 1.6090 2 3 1 57.41 14.29 1.6052 3 1 7 57.84 3.69 1.5941 2 1 8 58.40 7.46 1.5801 2 3 2 58.80 5.44 1.5703 5 0 4 60.29 1.41 1.5352 2 3 3 62.08 9.38 1.4951 3 3 0 62.45 4.64 1.4872 3 3 1 62.86 5.78 1.4783 2 3 4 63.00 2.24 1.4754 3 1 8 63.32 1.22 1.4687 1 2 8 64.14 4.17 1.4520 2 1 9 64.15 3.99 1.4518 6 0 0 64.22 1.39 1.4503 0 0 10 65.21 2.22 1.4306 1 0 10 66.09 1.58 1.4137 2 3 5 66.30 1.19 1.4098 2 2 8 67.43 12.26 1.3889 5 2 3 68.37 1.16 1.3720 0 2 9 69.03 4.76 1.3605 3 1 9 69.33 1.81 1.3553 4 3 1 69.33 4.04 1.3553 1 2 9 70.80 3.76 1.3308 2 1 10 72.62 3.65 1.3020 4 2 7 73.51 2.35 1.2884 1 4 1 73.58 1.51 1.2872 0 4 2 74.65 1.97 1.2715 3 3 6 74.79 1.09 1.2694 6 2 0 75.79 3.07 1.2552 1 2 10 76.13 3.66 1.2504 6 2 2 76.19 1.34 1.2495 1 4 3 76.63 1.42 1.2435 5 2 6 77.59 1.25 1.2304 0 4 4 79.10 1.54 1.2107 7 1 0 79.27 1.41 1.2086 0 0 12 79.43 2.55 1.2065 7 1 1 80.92 2.18 1.1880 5 2 7 81.90 1.03 1.1762 4 1 10 82.71 1.04 1.1668 1 2 11 84.16 2.85 1.1504 0 4 6 87.52 3.22 1.1146 5 0 10 89.40 1.07 1.0960 3 3 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.