Zussmanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050448 Lopes-Vieira A, Zussman J Mineralogical Magazine 37 (1969) 49-60 Further detail on the crystal structure of zussmanite Locality: Laytonville district, Mendocino County, California CELL PARAMETERS: 11.6560 11.6560 28.7010 90.000 90.000 120.000 SPACE GROUP: R-3 ATOM X Y Z OCCUPANCY ISO(B) K 0.33333 0.66667 0.16667 0.920 1.176 Na 0.33333 0.66667 0.16667 0.070 1.176 Fe 0.00000 0.00000 0.00000 0.840 0.995 Mg 0.00000 0.00000 0.00000 0.160 0.995 Fe 0.22940 -0.07610 -0.00090 0.840 0.537 Mg 0.22940 -0.07610 -0.00090 0.160 0.537 Fe 0.38400 0.53870 0.00350 0.840 0.474 Mg 0.38400 0.53870 0.00350 0.160 0.474 Si 0.25700 0.37300 0.09320 1.000 0.355 Si 0.40980 -0.04030 0.09350 1.000 0.387 Si 0.52460 0.17970 0.16700 0.833 0.403 Al 0.52460 0.17970 0.16700 0.167 0.403 O 0.41110 -0.02530 0.03750 1.000 0.813 O 0.25790 0.35980 0.03810 1.000 0.853 O 0.26610 -0.15670 0.11110 1.000 1.003 O 0.40080 0.48930 0.11140 1.000 0.782 O 0.22220 0.23680 0.11860 1.000 0.932 O 0.44520 0.09510 0.11920 1.000 1.026 O 0.53000 0.32280 0.16640 1.000 0.766 OH 0.33333 0.66667 0.03320 1.000 1.113 OH 0.17760 0.05100 0.03520 1.000 1.319 OH 0.48260 0.28130 0.03670 1.000 0.979 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 26 MAX. ABS. INTENSITY / VOLUME**2: 14.99015521 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.24 100.00 9.5670 0 0 3 9.29 11.14 9.5226 1 0 1 10.72 3.15 8.2564 0 1 2 15.15 6.27 5.8483 1 0 4 15.20 3.20 5.8280 1 1 0 17.78 12.84 4.9898 0 1 5 17.82 1.06 4.9772 1 1 3 17.82 2.23 4.9772 2 -1 3 17.84 12.46 4.9709 0 2 1 18.55 46.75 4.7835 0 0 6 18.64 5.28 4.7613 2 0 2 23.42 7.94 3.7987 1 0 7 23.47 2.41 3.7904 2 0 5 23.52 10.97 3.7821 2 1 1 23.52 9.61 3.7821 3 -1 1 24.07 18.13 3.6975 1 1 6 24.07 14.40 3.6975 2 -1 6 24.14 5.89 3.6872 -1 3 2 24.14 6.97 3.6872 1 2 2 26.36 4.49 3.3805 0 1 8 26.46 3.51 3.3687 3 -1 4 27.98 23.78 3.1890 0 0 9 28.04 5.87 3.1824 0 2 7 28.08 2.35 3.1775 1 2 5 28.08 2.62 3.1775 -1 3 5 30.57 3.98 2.9242 2 0 8 31.99 5.14 2.7976 1 1 9 31.99 6.97 2.7976 2 -1 9 32.04 5.38 2.7931 2 1 7 32.11 1.17 2.7876 2 2 3 32.12 2.14 2.7865 1 3 1 32.43 2.11 2.7607 1 0 10 32.59 58.71 2.7479 4 -1 2 34.31 3.62 2.6136 -1 3 8 34.38 3.03 2.6082 1 3 4 34.38 2.16 2.6082 -1 4 4 35.68 2.69 2.5163 3 1 5 35.68 80.54 2.5163 4 -1 5 36.09 1.76 2.4886 4 -2 6 37.61 6.38 2.3918 0 0 12 38.95 1.32 2.3121 -1 4 7 38.95 15.92 2.3121 1 3 7 39.02 2.09 2.3083 5 -2 1 39.02 1.15 2.3083 3 2 1 39.28 1.23 2.2936 2 1 10 39.41 1.43 2.2862 2 3 2 40.89 37.29 2.2072 4 -1 8 40.97 1.20 2.2028 4 1 0 42.09 1.03 2.1466 4 1 3 45.25 13.94 2.0041 1 3 10 46.76 1.79 1.9427 3 3 0 47.64 17.00 1.9088 4 -1 11 50.65 1.33 1.8023 5 -2 10 52.81 3.35 1.7336 1 3 13 52.86 1.83 1.7320 2 3 11 55.56 22.73 1.6540 4 -1 14 56.82 1.08 1.6203 -1 5 12 56.82 1.46 1.6203 4 1 12 56.97 29.04 1.6164 5 2 0 57.69 1.12 1.5980 5 -2 13 57.83 3.64 1.5945 0 0 18 57.85 9.17 1.5938 -2 7 3 57.85 9.17 1.5938 5 2 3 58.12 1.75 1.5871 0 6 6 58.12 2.19 1.5871 6 0 6 60.15 1.01 1.5383 7 -3 7 60.29 1.02 1.5350 2 3 14 60.45 4.53 1.5313 -2 7 6 60.45 4.56 1.5313 5 2 6 61.38 13.86 1.5104 1 3 16 62.41 1.53 1.4880 0 6 9 62.41 1.15 1.4880 6 0 9 64.45 3.70 1.4458 4 -1 17 64.65 2.21 1.4418 -2 7 9 64.65 2.17 1.4418 5 2 9 67.19 7.83 1.3932 2 6 2 69.06 9.31 1.3600 2 6 5 70.29 4.81 1.3392 -2 7 12 70.29 4.86 1.3392 5 2 12 70.89 11.27 1.3294 1 3 19 71.17 5.03 1.3248 8 -2 7 72.48 1.86 1.3041 2 6 8 77.36 5.02 1.2335 2 6 11 80.28 2.09 1.1959 0 0 24 81.38 1.27 1.1825 1 3 22 81.40 1.30 1.1822 8 -2 13 83.65 4.66 1.1560 2 6 14 88.62 4.26 1.1036 8 -2 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.