Ruizite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060930 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: 9.0560 6.1700 11.9200 90.000 91.300 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: 35.19089792 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.42 100.00 11.9169 0 0 1 17.39 19.05 5.0986 1 1 0 18.84 2.91 4.7094 -1 1 1 19.61 2.93 4.5268 2 0 0 21.15 19.49 4.2003 2 0 1 22.38 3.31 3.9723 0 0 3 23.10 1.35 3.8497 1 1 2 24.42 5.12 3.6446 -2 0 2 24.97 1.67 3.5658 2 0 2 28.66 14.47 3.1143 1 1 3 28.94 4.17 3.0850 0 2 0 29.58 2.69 3.0199 -2 0 3 29.92 4.76 2.9865 0 2 1 30.27 6.56 2.9527 2 0 3 32.69 11.48 2.7396 0 2 2 33.04 2.87 2.7110 3 1 0 33.76 6.16 2.6552 -3 1 1 34.07 3.22 2.6319 3 1 1 34.68 6.23 2.5867 -1 1 4 35.08 1.83 2.5581 1 1 4 35.20 9.68 2.5493 2 2 0 35.70 7.30 2.5150 -2 0 4 35.93 1.39 2.4994 -2 2 1 36.12 1.91 2.4868 -3 1 2 36.12 1.75 2.4864 2 2 1 38.59 10.53 2.3330 2 2 2 42.37 2.54 2.1331 2 2 3 42.46 3.96 2.1289 -2 0 5 45.68 2.28 1.9861 -4 0 3 45.71 1.41 1.9851 3 1 4 45.84 1.04 1.9794 -1 3 1 48.25 2.04 1.8861 0 2 5 50.05 1.25 1.8223 -4 0 4 51.24 3.19 1.7829 4 0 4 52.15 2.47 1.7539 -4 2 2 52.73 3.78 1.7360 4 2 2 53.85 1.96 1.7024 0 0 7 53.95 1.28 1.6995 3 3 0 54.44 1.35 1.6855 -3 3 1 54.98 2.11 1.6700 0 2 6 55.82 6.99 1.6469 4 2 3 58.55 2.42 1.5766 -2 2 6 59.97 4.40 1.5425 0 4 0 62.33 1.31 1.4896 0 0 8 63.65 4.15 1.4619 -4 2 5 64.34 1.07 1.4479 2 4 1 66.42 1.25 1.4075 2 2 7 69.65 1.33 1.3499 -6 2 1 71.00 1.82 1.3276 -6 2 2 71.79 1.45 1.3149 -2 4 4 78.63 1.48 1.2168 0 2 9 82.73 1.02 1.1665 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.