Ruizite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130787 Moore P B, Shen J, Araki T American Mineralogist 70 (1985) 171-181 Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal structures of ruizite, macfallite and orientite _database_code_amcsd 0000967 CELL PARAMETERS: 9.0360 6.1684 11.9602 90.000 91.433 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Mn 0.25000 0.25000 0.00000 1.000 0.700 Ca 0.20540 0.50000 0.25990 1.000 1.300 Si 0.03550 0.00000 0.15130 1.000 0.500 O 0.13280 0.21650 0.12910 1.000 1.000 O 0.37480 0.50000 0.09210 1.000 1.000 O -0.00630 0.00000 0.28570 1.000 1.000 Si 0.10420 0.00000 0.39510 1.000 0.500 O 0.20560 0.21500 0.39540 0.500 1.000 OH 0.20560 0.21500 0.39540 0.500 1.000 O 0.00000 0.00000 0.50000 1.000 1.000 OH 0.36740 0.00000 0.04590 1.000 1.000 OH 0.44370 0.00000 0.27810 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 5 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 35.37572098 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.39 100.00 11.9565 0 0 1 17.41 18.88 5.0940 1 1 0 18.84 2.89 4.7104 -1 1 1 19.66 2.90 4.5166 2 0 0 21.20 19.24 4.1907 2 0 1 22.31 3.31 3.9855 0 0 3 23.10 1.34 3.8506 1 1 2 24.40 5.10 3.6479 -2 0 2 25.00 1.65 3.5611 2 0 2 28.63 14.41 3.1177 1 1 3 28.95 4.14 3.0842 0 2 0 29.52 2.69 3.0262 -2 0 3 29.92 4.72 2.9864 0 2 1 30.28 6.51 2.9520 2 0 3 32.67 11.42 2.7409 0 2 2 33.11 2.83 2.7059 3 1 0 33.80 6.09 2.6520 -3 1 1 34.14 3.18 2.6265 3 1 1 34.58 6.25 2.5941 -1 1 4 35.02 1.82 2.5623 1 1 4 35.24 9.58 2.5470 2 2 0 35.60 7.31 2.5219 -2 0 4 35.95 1.37 2.4983 -2 2 1 36.13 1.89 2.4862 -3 1 2 36.16 1.73 2.4840 2 2 1 38.62 10.43 2.3314 2 2 2 42.32 3.98 2.1356 -2 0 5 42.38 2.52 2.1326 2 2 3 45.68 2.26 1.9862 -4 0 3 45.73 1.40 1.9840 3 1 4 45.85 1.03 1.9790 -1 3 1 48.15 2.04 1.8898 0 2 5 50.01 1.25 1.8239 -4 0 4 51.31 3.16 1.7806 4 0 4 52.18 2.45 1.7528 -4 2 2 52.82 3.73 1.7332 4 2 2 53.66 1.97 1.7081 0 0 7 54.00 1.27 1.6980 3 3 0 54.47 1.33 1.6845 -3 3 1 54.85 2.11 1.6738 0 2 6 55.91 6.90 1.6446 4 2 3 58.40 2.43 1.5803 -2 2 6 59.99 4.36 1.5421 0 4 0 62.10 1.32 1.4946 0 0 8 63.57 4.14 1.4636 -4 2 5 64.37 1.06 1.4472 2 4 1 66.32 1.25 1.4094 2 2 7 69.78 1.31 1.3478 -6 2 1 71.10 1.80 1.3260 -6 2 2 71.74 1.44 1.3156 -2 4 4 78.37 1.49 1.2201 0 2 9 82.80 1.01 1.1657 4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.