Deerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070393 Fleet M E American Mineralogist 62 (1977) 990-998 The crystal structure of deerite Note: sample is from a riebeckite-deerite-garnet schist near Panoche, San Benito County, California, USA CELL PARAMETERS: 10.7740 18.9030 9.5610 90.000 107.085 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Fe 0.32090 0.17560 0.02380 1.000 1.100 Fe 0.32090 0.17560 0.35720 1.000 1.100 Fe 0.32090 0.17560 0.69050 1.000 1.100 Fe 0.16690 0.30420 0.13880 1.000 1.100 Fe 0.16690 0.30420 0.47220 1.000 1.100 Fe 0.16690 0.30420 0.80550 1.000 1.100 Fe 0.04430 0.42900 0.26540 1.000 1.000 Fe 0.04430 0.42900 0.59870 1.000 1.000 Fe 0.04430 0.42900 0.93210 1.000 1.000 Si 0.25800 0.53250 0.17000 1.000 1.400 Si 0.25800 0.53250 0.83600 1.000 1.400 Si 0.36200 0.41560 0.37100 1.000 1.100 Si 0.36200 0.41560 0.70500 1.000 1.100 Si 0.48600 0.30570 0.24500 1.000 1.600 Si 0.48600 0.30570 0.91100 1.000 1.600 O 0.25300 0.11800 0.16400 1.000 1.200 OH 0.25300 0.11800 0.49700 1.000 1.200 O 0.25300 0.11800 0.83000 1.000 1.200 O 0.13200 0.23000 0.29800 1.000 1.200 OH 0.13200 0.23000 0.63100 1.000 1.200 O 0.13200 0.23000 0.96400 1.000 1.200 O 0.49200 0.13500 0.08000 1.000 1.100 O 0.49200 0.13500 0.41400 1.000 1.100 O 0.49200 0.13500 0.74700 1.000 1.100 O 0.35600 0.25000 0.20300 1.000 1.900 OH 0.35600 0.25000 0.53600 1.000 1.900 O 0.35600 0.25000 0.87000 1.000 1.900 O 0.22200 0.37400 0.32300 1.000 1.100 O 0.22200 0.37400 0.65600 1.000 1.100 OH 0.22200 0.37400 0.99000 1.000 1.100 O 0.11000 0.49800 0.12200 1.000 1.000 OH 0.11000 0.49800 0.45500 1.000 1.000 O 0.11000 0.49800 0.78800 1.000 1.000 O 0.47100 0.34300 0.08300 1.000 1.000 O 0.47700 0.37500 0.34600 1.000 1.000 O 0.46600 0.36800 0.80100 1.000 1.000 O 0.41400 0.43200 0.55100 1.000 1.000 O 0.35400 0.49100 0.77500 1.000 1.000 O 0.35600 0.49300 0.30300 1.000 1.000 O 0.32100 0.51600 0.02300 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 17 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 23.34870233 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.36 17.17 9.4515 0 2 0 9.68 2.71 9.1391 0 0 1 9.78 100.00 9.0435 1 1 0 12.71 1.95 6.9634 1 2 0 14.38 1.58 6.1601 -1 2 1 16.49 2.69 5.3748 1 3 0 17.22 3.47 5.1493 2 0 0 17.48 2.09 5.0742 1 2 1 17.82 1.04 4.9785 -1 3 1 19.43 2.92 4.5695 0 0 2 19.53 2.74 4.5457 -2 2 1 19.63 11.30 4.5217 2 2 0 20.68 2.24 4.2951 1 4 0 21.03 1.08 4.2247 -1 2 2 21.16 1.59 4.1977 0 4 1 21.76 4.58 4.0847 -1 4 1 22.20 1.80 4.0036 -2 3 1 23.85 1.30 3.7312 -2 2 2 23.98 1.05 3.7112 1 1 2 24.11 2.49 3.6919 2 2 1 25.58 1.56 3.4817 2 4 0 26.00 1.03 3.4275 -1 5 1 27.65 16.73 3.2266 3 2 0 27.87 1.60 3.2008 1 5 1 28.33 1.64 3.1505 0 6 0 29.31 3.88 3.0474 2 5 0 29.63 48.26 3.0145 3 3 0 30.00 2.11 2.9785 0 6 1 32.23 7.11 2.7774 3 4 0 32.65 1.11 2.7426 0 3 3 32.68 1.32 2.7400 -2 3 3 33.34 8.64 2.6874 2 6 0 33.93 81.03 2.6423 -1 4 3 34.33 1.32 2.6121 1 7 0 34.40 1.06 2.6073 1 2 3 35.05 4.87 2.5605 0 4 3 35.08 5.17 2.5583 -2 4 3 35.32 27.08 2.5415 3 5 0 36.16 2.18 2.4841 4 2 0 37.74 3.32 2.3833 4 3 0 37.93 11.58 2.3721 0 5 3 37.96 11.60 2.3704 -2 5 3 38.08 3.54 2.3629 0 8 0 38.50 1.21 2.3381 2 0 3 38.59 1.21 2.3332 -4 0 3 38.80 1.63 2.3211 3 6 0 38.81 10.01 2.3204 2 1 3 38.89 10.57 2.3156 -4 1 3 39.11 5.50 2.3030 1 8 0 39.71 1.86 2.2697 2 2 3 39.79 1.40 2.2652 -4 2 3 39.87 8.00 2.2609 4 4 0 40.25 6.88 2.2405 -1 6 3 40.95 2.64 2.2039 1 5 3 41.00 2.56 2.2012 -3 5 3 44.00 2.11 2.0580 1 9 0 44.05 3.36 2.0556 1 6 3 44.10 3.29 2.0534 -3 6 3 44.23 1.00 2.0476 5 1 0 44.88 1.01 2.0197 -2 7 3 45.60 1.08 1.9896 -5 1 3 46.29 1.84 1.9612 3 2 3 46.38 5.04 1.9578 5 3 0 46.39 1.67 1.9573 -5 2 3 48.49 2.54 1.8775 2 6 3 48.56 2.37 1.8750 -4 6 3 51.72 7.63 1.7676 2 7 3 51.78 7.78 1.7655 -4 7 3 53.11 1.63 1.7243 4 1 3 53.22 1.48 1.7210 -6 1 3 53.38 2.80 1.7164 6 0 0 54.32 5.13 1.6888 6 2 0 55.32 3.15 1.6607 1 9 3 55.36 2.92 1.6595 -3 9 3 55.49 2.60 1.6561 6 3 0 57.23 4.19 1.6097 3 7 3 57.31 4.11 1.6076 -5 7 3 57.87 13.78 1.5935 -2 0 6 58.82 1.50 1.5698 -1 1 6 58.87 1.58 1.5688 -3 1 6 59.11 1.93 1.5629 6 5 0 59.13 9.29 1.5625 2 9 3 59.19 9.16 1.5610 -4 9 3 59.62 4.15 1.5509 1 10 3 59.66 4.40 1.5499 -3 10 3 60.22 1.72 1.5367 3 11 0 61.50 2.54 1.5077 5 1 3 61.52 1.40 1.5072 6 6 0 61.62 2.49 1.5051 -7 1 3 62.15 3.05 1.4935 5 2 3 62.27 3.09 1.4910 -7 2 3 64.71 2.41 1.4405 5 4 3 64.83 2.55 1.4382 -7 4 3 65.28 3.25 1.4293 4 11 0 66.17 2.06 1.4122 -1 12 3 66.30 2.15 1.4099 1 3 6 66.41 2.13 1.4077 -5 3 6 66.86 1.38 1.3994 2 13 0 66.86 1.39 1.3992 0 12 3 66.88 1.45 1.3989 -2 12 3 67.44 1.50 1.3887 6 8 0 69.59 3.70 1.3510 1 5 6 69.70 3.65 1.3491 -5 5 6 70.31 2.97 1.3389 3 13 0 71.40 2.14 1.3211 -2 8 6 72.35 1.89 1.3061 2 14 0 82.11 1.41 1.1737 1 16 0 83.28 1.23 1.1602 4 2 6 83.49 1.16 1.1578 -8 2 6 85.99 1.12 1.1304 8 8 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.