Zanazziite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050578 Fanfani L, Zanazzi P F, Zanzari A R Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 169-178 The crystal structure of a triclinic roscherite Note: Name changed from roscherite because formula matches zanazziite in Fleischer's Note: B(3,3) changed from .00848 to .00488 to match reported Biso Locality: Foote Mine, North Carolina, USA CELL PARAMETERS: 15.9000 11.8430 6.5990 90.000 95.490 90.000 SPACE GROUP: C-1 ATOM X Y Z OCCUPANCY ISO(B) Fe 0.00000 0.00000 0.50000 0.420 1.510 Al 0.00000 0.00000 0.50000 0.130 1.510 Mn 0.00000 0.00000 0.50000 0.120 1.510 Ca 0.00100 0.26110 0.24590 1.000 0.960 Mn 0.17040 0.16200 -0.00780 0.980 0.820 Ca 0.17040 0.16200 -0.00780 0.010 0.820 Mg 0.17040 0.16200 -0.00780 0.010 0.820 Mn 0.17060 -0.15860 0.49860 0.980 0.870 Ca 0.17060 -0.15860 0.49860 0.010 0.870 Mg 0.17060 -0.15860 0.49860 0.010 0.870 Be 0.33050 0.17270 0.29650 1.000 0.860 Be 0.33320 -0.17620 -0.20090 1.000 0.850 P 0.18520 0.12050 0.47520 1.000 0.800 P 0.18610 -0.12070 -0.01820 1.000 0.770 P 0.00220 0.27610 0.74770 1.000 0.770 O 0.13780 0.01060 0.50430 1.000 1.070 O 0.14120 -0.00730 0.01000 1.000 1.160 O 0.27820 0.09600 0.43820 1.000 0.960 O 0.27980 -0.10120 -0.04760 1.000 1.000 O 0.14100 0.18590 0.30460 1.000 1.100 O 0.14170 -0.18710 -0.19420 1.000 1.050 O 0.18330 0.19220 0.67130 1.000 0.990 O 0.17950 -0.18870 0.17540 1.000 1.090 O 0.04060 0.20930 0.91950 1.000 1.190 O 0.03320 -0.19820 0.42860 1.000 1.190 O 0.06850 0.35200 0.66090 1.000 0.940 O 0.06700 -0.35170 0.17280 1.000 1.260 OH 0.30110 0.15870 0.06470 1.000 0.940 OH 0.30200 -0.16190 -0.43070 1.000 1.040 Wa 0.00030 0.04460 0.21570 1.000 1.400 Wa 0.09440 0.42090 0.23540 1.000 1.610 Wa 0.09440 -0.41940 -0.27680 1.000 1.570 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 10 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 7.803305864 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.32 / 9.34 46.64 / 23.32 9.4822 1 1 0 9.32 / 9.34 53.36 / 26.68 9.4822 -1 1 0 11.17 / 11.20 5.92 / 2.96 7.9135 2 0 0 13.47 / 13.50 1.41 / 0.71 6.5687 0 0 1 14.95 / 14.99 82.21 / 41.10 5.9215 0 2 0 15.95 / 15.99 1.56 / 0.78 5.5506 -1 1 1 15.95 / 15.99 7.46 / 3.73 5.5506 -1 -1 1 16.68 / 16.72 1.01 / 0.50 5.3102 -2 0 1 16.84 / 16.88 4.03 / 2.01 5.2604 1 1 1 18.39 / 18.44 22.54 / 11.27 4.8192 3 1 0 18.39 / 18.44 18.76 / 9.38 4.8192 -3 1 0 20.17 / 20.22 1.60 / 0.80 4.3982 0 -2 1 20.17 / 20.22 9.18 / 4.59 4.3982 0 2 1 22.47 / 22.53 4.76 / 2.38 3.9534 -2 -2 1 22.47 / 22.53 1.46 / 0.73 3.9534 -2 2 1 23.75 / 23.81 2.43 / 1.21 3.7439 2 2 1 23.82 / 23.88 3.42 / 1.71 3.7331 3 1 1 26.65 / 26.71 9.14 / 4.57 3.3427 -1 -3 1 26.65 / 26.71 14.49 / 7.25 3.3427 -1 3 1 27.08 / 27.15 2.61 / 1.31 3.2899 4 2 0 27.08 / 27.15 2.57 / 1.29 3.2899 -4 2 0 27.13 / 27.20 7.42 / 3.71 3.2844 0 0 2 27.20 / 27.27 1.14 / 0.57 3.2760 1 -3 1 28.21 / 28.28 34.22 / 17.11 3.1607 3 3 0 28.21 / 28.28 31.48 / 15.74 3.1607 -3 3 0 28.22 / 28.29 6.09 / 3.04 3.1600 -1 -1 2 28.22 / 28.29 5.33 / 2.66 3.1600 -1 1 2 28.38 / 28.46 45.68 / 22.84 3.1418 -2 0 2 29.18 / 29.25 13.86 / 6.93 3.0581 -5 1 0 29.18 / 29.25 11.23 / 5.62 3.0581 5 1 0 29.26 / 29.33 17.92 / 8.96 3.0499 1 -1 2 29.26 / 29.33 17.20 / 8.60 3.0499 1 1 2 30.16 / 30.24 7.36 / 3.68 2.9608 0 4 0 30.42 / 30.50 40.73 / 20.37 2.9357 2 0 2 30.65 / 30.73 1.47 / 0.74 2.9142 -3 -3 1 31.11 / 31.19 2.92 / 1.46 2.8722 0 -2 2 31.11 / 31.19 3.28 / 1.64 2.8722 0 2 2 31.34 / 31.42 2.05 / 1.02 2.8521 4 2 1 31.57 / 31.65 9.06 / 4.53 2.8316 -3 -1 2 31.57 / 31.65 12.19 / 6.10 2.8316 -3 1 2 32.23 / 32.31 2.53 / 1.27 2.7753 -2 2 2 32.23 / 32.31 5.01 / 2.50 2.7753 -2 -2 2 32.26 / 32.34 27.95 / 13.97 2.7730 2 4 0 32.26 / 32.34 26.96 / 13.48 2.7730 -2 4 0 33.16 / 33.25 1.78 / 0.89 2.6992 0 -4 1 33.42 / 33.50 5.77 / 2.88 2.6792 5 -1 1 33.42 / 33.50 2.57 / 1.29 2.6792 5 1 1 33.96 / 34.04 48.72 / 24.36 2.6378 6 0 0 34.06 / 34.15 1.21 / 0.60 2.6302 2 -2 2 34.33 / 34.42 3.76 / 1.88 2.6099 3 1 2 34.33 / 34.42 1.88 / 0.94 2.6099 3 -1 2 34.66 / 34.75 1.40 / 0.70 2.5860 -2 -4 1 34.66 / 34.75 2.94 / 1.47 2.5860 -2 4 1 35.53 / 35.62 3.85 / 1.93 2.5246 2 -4 1 35.53 / 35.62 2.35 / 1.17 2.5246 2 4 1 35.56 / 35.65 1.95 / 0.98 2.5223 -1 3 2 35.56 / 35.65 1.15 / 0.57 2.5223 -1 -3 2 36.35 / 36.44 1.57 / 0.78 2.4695 -5 3 0 36.35 / 36.44 1.05 / 0.53 2.4695 5 3 0 36.41 / 36.51 3.40 / 1.70 2.4652 1 -3 2 36.41 / 36.51 3.34 / 1.67 2.4652 1 3 2 37.08 / 37.17 2.38 / 1.19 2.4227 -4 -2 2 37.08 / 37.17 1.43 / 0.72 2.4227 -4 2 2 37.18 / 37.28 2.79 / 1.39 2.4161 4 0 2 37.29 / 37.38 7.70 / 3.85 2.4096 6 2 0 37.29 / 37.38 8.51 / 4.26 2.4096 -6 2 0 37.92 / 38.02 4.51 / 2.25 2.3706 -4 4 0 37.92 / 38.02 3.66 / 1.83 2.3706 4 4 0 38.34 / 38.44 4.21 / 2.11 2.3456 -3 -3 2 38.34 / 38.44 3.17 / 1.58 2.3456 -3 3 2 38.40 / 38.49 3.16 / 1.58 2.3425 1 5 0 38.40 / 38.49 4.42 / 2.21 2.3425 -1 5 0 39.64 / 39.74 1.25 / 0.62 2.2718 -4 -4 1 39.64 / 39.74 3.49 / 1.75 2.2718 -4 4 1 39.91 / 40.02 1.37 / 0.68 2.2568 5 -3 1 40.59 / 40.69 8.95 / 4.47 2.2209 -7 1 0 40.59 / 40.69 8.17 / 4.08 2.2209 7 1 0 40.67 / 40.78 7.19 / 3.59 2.2164 -1 -5 1 40.67 / 40.78 11.83 / 5.91 2.2164 -1 5 1 41.01 / 41.11 6.11 / 3.05 2.1991 0 -4 2 41.01 / 41.11 8.84 / 4.42 2.1991 0 4 2 41.18 / 41.29 1.70 / 0.85 2.1901 4 -4 1 41.18 / 41.29 3.50 / 1.75 2.1901 4 4 1 41.77 / 41.88 1.79 / 0.89 2.1608 3 5 0 41.77 / 41.88 1.40 / 0.70 2.1608 -3 5 0 41.77 / 41.88 14.53 / 7.27 2.1608 -1 -1 3 41.77 / 41.88 7.03 / 3.51 2.1608 -1 1 3 41.78 / 41.89 3.68 / 1.84 2.1600 -6 0 2 41.89 / 42.00 1.67 / 0.84 2.1547 -2 -4 2 42.88 / 43.00 1.45 / 0.72 2.1071 1 1 3 43.37 / 43.48 1.88 / 0.94 2.0846 2 -4 2 43.37 / 43.48 1.04 / 0.52 2.0846 2 4 2 43.86 / 43.97 1.21 / 0.61 2.0625 -3 -1 3 44.06 / 44.17 1.73 / 0.87 2.0537 0 2 3 44.17 / 44.29 1.86 / 0.93 2.0486 -5 -3 2 44.17 / 44.29 1.81 / 0.91 2.0486 -5 3 2 44.22 / 44.34 4.36 / 2.18 2.0464 7 -1 1 44.22 / 44.34 6.64 / 3.32 2.0464 7 1 1 44.54 / 44.65 3.30 / 1.65 2.0327 -2 2 3 44.54 / 44.65 5.69 / 2.85 2.0327 -2 -2 3 44.62 / 44.73 1.79 / 0.89 2.0292 -6 -2 2 44.62 / 44.73 1.55 / 0.77 2.0292 -6 2 2 44.62 / 44.74 1.83 / 0.91 2.0291 3 5 1 45.83 / 45.95 1.35 / 0.68 1.9784 8 0 0 45.87 / 45.99 4.83 / 2.42 1.9767 -4 -4 2 45.87 / 45.99 4.41 / 2.20 1.9767 -4 4 2 45.94 / 46.06 4.02 / 2.01 1.9738 0 6 0 46.11 / 46.23 2.84 / 1.42 1.9668 6 0 2 47.18 / 47.30 1.10 / 0.55 1.9248 -6 4 1 47.30 / 47.43 1.28 / 0.64 1.9202 -1 3 3 47.30 / 47.43 1.66 / 0.83 1.9200 -1 -5 2 47.30 / 47.43 1.29 / 0.64 1.9200 -1 5 2 47.43 / 47.56 3.29 / 1.65 1.9152 2 6 0 47.43 / 47.56 2.46 / 1.23 1.9152 -2 6 0 47.66 / 47.78 2.71 / 1.35 1.9067 5 -3 2 47.66 / 47.78 3.56 / 1.78 1.9067 5 3 2 48.01 / 48.13 1.85 / 0.92 1.8936 -4 2 3 48.31 / 48.44 2.42 / 1.21 1.8822 1 -3 3 48.75 / 48.87 1.02 / 0.51 1.8666 6 2 2 48.83 / 48.96 1.34 / 0.67 1.8637 -5 1 3 49.20 / 49.33 1.04 / 0.52 1.8505 -5 -5 1 50.83 / 50.96 1.54 / 0.77 1.7948 5 -5 1 50.83 / 50.96 2.40 / 1.20 1.7948 5 5 1 51.48 / 51.62 2.09 / 1.05 1.7735 3 -5 2 51.48 / 51.62 2.23 / 1.12 1.7735 3 5 2 51.56 / 51.69 8.93 / 4.47 1.7712 -8 0 2 51.71 / 51.85 2.56 / 1.28 1.7663 -4 6 0 51.71 / 51.85 1.96 / 0.98 1.7663 4 6 0 51.83 / 51.97 1.01 / 0.51 1.7625 8 2 1 51.89 / 52.03 1.66 / 0.83 1.7605 0 4 3 51.93 / 52.07 1.65 / 0.83 1.7594 4 -2 3 52.32 / 52.46 1.27 / 0.64 1.7472 -2 -4 3 52.32 / 52.46 2.72 / 1.36 1.7472 -2 4 3 52.39 / 52.53 4.54 / 2.27 1.7450 -6 -4 2 52.39 / 52.53 5.57 / 2.78 1.7450 -6 4 2 52.57 / 52.71 1.26 / 0.63 1.7395 -9 1 0 52.57 / 52.71 1.38 / 0.69 1.7395 9 1 0 53.64 / 53.79 2.66 / 1.33 1.7072 5 -1 3 53.99 / 54.14 2.77 / 1.39 1.6969 -8 -2 2 53.99 / 54.14 1.94 / 0.97 1.6969 -8 2 2 54.17 / 54.31 5.60 / 2.80 1.6918 0 -6 2 54.17 / 54.31 4.55 / 2.28 1.6918 0 6 2 54.19 / 54.34 1.25 / 0.63 1.6911 2 -4 3 54.50 / 54.65 1.17 / 0.59 1.6823 -1 7 0 55.42 / 55.57 2.02 / 1.01 1.6565 -4 4 3 55.42 / 55.57 4.18 / 2.09 1.6565 -4 -4 3 55.84 / 56.00 7.05 / 3.53 1.6449 8 4 0 55.84 / 56.00 7.88 / 3.94 1.6449 -8 4 0 55.90 / 56.05 1.22 / 0.61 1.6435 9 1 1 55.95 / 56.10 11.25 / 5.63 1.6422 0 0 4 56.09 / 56.24 2.97 / 1.49 1.6383 6 -4 2 56.09 / 56.24 3.47 / 1.74 1.6383 6 4 2 56.10 / 56.25 1.83 / 0.91 1.6381 -7 -1 3 56.26 / 56.42 3.82 / 1.91 1.6337 -1 -7 1 56.26 / 56.42 2.23 / 1.11 1.6337 -1 7 1 56.51 / 56.66 2.11 / 1.05 1.6273 8 0 2 56.54 / 56.69 1.52 / 0.76 1.6265 -8 4 1 56.56 / 56.72 1.70 / 0.85 1.6257 1 7 1 57.31 / 57.46 4.05 / 2.03 1.6064 9 3 0 57.31 / 57.46 3.95 / 1.97 1.6064 -9 3 0 57.51 / 57.67 1.09 / 0.54 1.6012 -9 1 2 58.02 / 58.17 2.89 / 1.45 1.5884 1 -5 3 58.02 / 58.17 2.51 / 1.25 1.5884 1 5 3 58.25 / 58.40 1.44 / 0.72 1.5827 10 0 0 58.34 / 58.50 2.33 / 1.16 1.5804 6 6 0 58.34 / 58.50 2.39 / 1.20 1.5804 -6 6 0 58.80 / 58.96 1.57 / 0.78 1.5691 8 -2 2 58.80 / 58.96 1.06 / 0.53 1.5691 8 2 2 58.90 / 59.07 1.66 / 0.83 1.5666 8 -4 1 59.00 / 59.16 1.44 / 0.72 1.5644 4 4 3 59.42 / 59.58 1.13 / 0.57 1.5543 6 -2 3 61.04 / 61.20 1.07 / 0.53 1.5169 6 6 1 61.14 / 61.31 1.61 / 0.81 1.5145 3 -1 4 61.14 / 61.31 1.79 / 0.89 1.5145 3 1 4 61.40 / 61.57 1.09 / 0.54 1.5087 3 -5 3 61.53 / 61.70 1.04 / 0.52 1.5060 -5 1 4 62.00 / 62.17 2.27 / 1.13 1.4955 -9 -3 2 62.00 / 62.17 2.71 / 1.35 1.4955 -9 3 2 62.10 / 62.28 1.50 / 0.75 1.4933 -8 -2 3 62.13 / 62.31 1.41 / 0.71 1.4927 -3 -3 4 62.13 / 62.31 1.81 / 0.91 1.4927 -3 3 4 62.22 / 62.40 1.39 / 0.69 1.4908 7 1 3 62.62 / 62.79 1.20 / 0.60 1.4823 -10 0 2 63.39 / 63.57 1.00 / 0.50 1.4661 0 -6 3 63.52 / 63.70 1.83 / 0.92 1.4634 -3 -7 2 63.52 / 63.70 2.48 / 1.24 1.4634 -3 7 2 63.78 / 63.96 1.60 / 0.80 1.4581 -6 0 4 63.83 / 64.00 1.79 / 0.89 1.4571 -6 -6 2 63.83 / 64.00 1.35 / 0.67 1.4571 -6 6 2 64.97 / 65.15 2.61 / 1.31 1.4342 -2 -4 4 64.97 / 65.15 3.83 / 1.91 1.4342 -2 4 4 65.19 / 65.37 1.96 / 0.98 1.4300 3 7 2 65.19 / 65.37 1.62 / 0.81 1.4300 3 -7 2 65.48 / 65.67 2.18 / 1.09 1.4242 3 3 4 65.48 / 65.67 2.42 / 1.21 1.4242 3 -3 4 66.91 / 67.09 1.16 / 0.58 1.3973 -8 6 0 66.91 / 67.09 1.18 / 0.59 1.3973 8 6 0 67.13 / 67.32 1.21 / 0.60 1.3932 6 6 2 67.13 / 67.32 1.68 / 0.84 1.3932 6 -6 2 68.51 / 68.70 1.28 / 0.64 1.3685 -8 4 3 69.12 / 69.32 1.21 / 0.61 1.3578 -11 -1 2 70.14 / 70.34 1.98 / 0.99 1.3406 -1 -7 3 70.14 / 70.34 1.47 / 0.74 1.3406 -1 7 3 70.31 / 70.51 5.76 / 2.88 1.3379 6 0 4 70.94 / 71.14 1.20 / 0.60 1.3275 1 -7 3 70.94 / 71.14 1.52 / 0.76 1.3275 1 7 3 71.47 / 71.67 2.05 / 1.02 1.3189 12 0 0 71.71 / 71.91 1.09 / 0.54 1.3151 4 4 4 71.91 / 72.12 1.30 / 0.65 1.3119 7 7 1 72.35 / 72.56 1.32 / 0.66 1.3050 6 -2 4 73.22 / 73.43 2.06 / 1.03 1.2916 -11 -3 2 73.22 / 73.43 1.44 / 0.72 1.2916 -11 3 2 78.97 / 79.21 1.77 / 0.89 1.2114 -8 4 4 78.97 / 79.21 1.04 / 0.52 1.2114 -8 -4 4 79.65 / 79.89 1.05 / 0.53 1.2027 -5 9 1 80.00 / 80.24 1.80 / 0.90 1.1983 -10 0 4 81.41 / 81.65 1.21 / 0.60 1.1811 -1 7 4 87.05 / 87.32 1.15 / 0.57 1.1185 8 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.