Ruizite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140132 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: 9.0476 6.1774 11.9707 90.000 91.344 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: 35.18521125 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.39 100.00 11.9674 0 0 1 17.38 18.91 5.1012 1 1 0 18.82 2.89 4.7152 -1 1 1 19.63 2.90 4.5226 2 0 0 21.16 19.29 4.1981 2 0 1 22.29 3.31 3.9891 0 0 3 23.06 1.34 3.8569 1 1 2 24.39 5.09 3.6494 -2 0 2 24.96 1.66 3.5679 2 0 2 28.59 14.45 3.1224 1 1 3 28.91 4.15 3.0887 0 2 0 29.51 2.69 3.0271 -2 0 3 29.88 4.73 2.9907 0 2 1 30.22 6.54 2.9574 2 0 3 32.63 11.45 2.7446 0 2 2 33.06 2.84 2.7095 3 1 0 33.76 6.10 2.6547 -3 1 1 34.08 3.19 2.6307 3 1 1 34.55 6.25 2.5958 -1 1 4 34.97 1.83 2.5660 1 1 4 35.19 9.61 2.5506 2 2 0 35.59 7.30 2.5226 -2 0 4 35.90 1.38 2.5013 -2 2 1 36.10 1.89 2.4881 -3 1 2 36.10 1.74 2.4879 2 2 1 38.55 10.47 2.3352 2 2 2 42.31 3.98 2.1363 -2 0 5 42.31 2.54 2.1361 2 2 3 45.64 1.41 1.9876 3 1 4 45.65 2.26 1.9873 -4 0 3 45.79 1.03 1.9818 -1 3 1 48.09 2.05 1.8919 0 2 5 49.98 1.25 1.8247 -4 0 4 51.21 3.17 1.7840 4 0 4 52.13 2.45 1.7545 -4 2 2 52.73 3.74 1.7361 4 2 2 53.61 1.97 1.7096 0 0 7 53.92 1.27 1.7004 3 3 0 54.40 1.34 1.6866 -3 3 1 54.79 2.12 1.6756 0 2 6 55.80 6.94 1.6475 4 2 3 58.35 2.43 1.5814 -2 2 6 59.89 4.38 1.5444 0 4 0 62.04 1.32 1.4959 0 0 8 63.53 4.14 1.4645 -4 2 5 64.27 1.07 1.4494 2 4 1 66.21 1.26 1.4115 2 2 7 69.69 1.31 1.3494 -6 2 1 71.01 1.80 1.3274 -6 2 2 71.65 1.44 1.3171 -2 4 4 78.28 1.49 1.2213 0 2 9 82.64 1.01 1.1676 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.