Sarcopside Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070553 Moore P B American Mineralogist 57 (1972) 24-35 Sarcopside: Its atomic arrangement CELL PARAMETERS: 10.5680 4.8240 6.1240 90.000 90.690 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Fe 0.00000 0.00000 0.00000 0.780 0.580 Mn 0.00000 0.00000 0.00000 0.210 0.580 Mg 0.00000 0.00000 0.00000 0.010 0.580 Fe 0.28300 -0.01340 0.26390 0.780 0.570 Mn 0.28300 -0.01340 0.26390 0.210 0.570 Mg 0.28300 -0.01340 0.26390 0.010 0.570 P 0.10000 0.43410 0.23860 1.000 0.530 O -0.10420 0.25100 -0.21590 1.000 0.710 O -0.03580 0.31470 0.24630 1.000 0.760 O 0.16200 0.28380 0.02910 1.000 0.780 O 0.18220 0.32410 0.42960 1.000 0.690 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 4 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 16.11701729 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.46 43.62 6.1236 0 0 1 16.78 5.11 5.2836 2 0 0 20.24 14.06 4.3884 1 1 0 22.09 61.81 4.0244 -2 0 1 22.36 2.79 3.9767 2 0 1 23.48 7.45 3.7894 0 1 1 24.90 100.00 3.5755 -1 1 1 25.00 6.69 3.5625 2 1 0 25.02 1.42 3.5586 1 1 1 28.89 1.91 3.0902 -2 1 1 29.10 2.83 3.0685 2 1 1 29.17 31.23 3.0618 0 0 2 31.45 71.68 2.8448 3 1 0 33.65 12.04 2.6631 -2 0 2 33.93 3.58 2.6418 4 0 0 34.02 4.04 2.6354 2 0 2 34.64 18.48 2.5896 -3 1 1 34.91 75.76 2.5704 3 1 1 35.67 28.11 2.5169 -1 1 2 35.85 45.07 2.5051 1 1 2 36.89 13.58 2.4364 -4 0 1 37.23 4.00 2.4151 4 0 1 37.28 11.03 2.4120 0 2 0 38.28 9.51 2.3515 1 2 0 38.62 3.73 2.3314 -2 1 2 38.87 11.95 2.3171 4 1 0 38.94 6.04 2.3128 2 1 2 40.18 1.54 2.2442 0 2 1 41.08 6.65 2.1972 -1 2 1 41.14 1.82 2.1942 2 2 0 41.16 3.35 2.1933 1 2 1 43.90 12.27 2.0623 2 2 1 44.38 2.88 2.0412 0 0 3 48.02 5.84 1.8947 0 2 2 49.21 17.60 1.8517 -5 1 1 49.33 18.29 1.8472 1 1 3 51.09 25.80 1.7877 -2 2 2 51.29 11.78 1.7813 4 2 0 51.35 23.34 1.7793 2 2 2 51.41 5.11 1.7773 -2 1 3 53.46 20.28 1.7141 -4 2 1 53.71 1.62 1.7067 4 2 1 54.00 4.51 1.6980 -6 0 1 54.38 16.45 1.6872 6 0 1 55.12 23.54 1.6661 -3 1 3 55.68 2.09 1.6508 3 1 3 55.91 3.43 1.6444 -5 1 2 56.52 5.67 1.6281 5 1 2 57.38 12.36 1.6059 4 0 3 58.02 1.81 1.5897 1 3 0 59.31 2.51 1.5581 0 2 3 60.11 10.14 1.5394 -1 3 1 60.15 2.11 1.5383 2 3 0 60.31 6.53 1.5347 -6 0 2 60.47 15.23 1.5309 0 0 4 61.01 7.49 1.5188 6 0 2 63.61 3.61 1.4628 3 3 0 64.57 1.69 1.4432 1 1 4 64.70 10.39 1.4407 7 1 0 65.54 1.28 1.4244 -3 3 1 65.70 9.82 1.4212 3 3 1 66.30 3.96 1.4098 1 3 2 66.50 2.12 1.4060 -7 1 1 66.99 1.58 1.3969 5 1 3 67.78 5.69 1.3825 6 2 1 68.12 3.25 1.3765 -2 3 2 68.34 3.05 1.3727 2 3 2 69.44 2.83 1.3536 -3 1 4 70.08 5.14 1.3426 3 1 4 70.12 2.77 1.3421 -4 3 1 70.16 8.57 1.3415 -6 0 3 70.34 1.17 1.3385 4 3 1 70.44 6.16 1.3367 4 2 3 71.12 1.21 1.3256 6 0 3 71.64 1.28 1.3173 3 3 2 72.88 1.67 1.2979 7 1 2 73.08 2.66 1.2948 -6 2 2 73.23 4.76 1.2925 0 2 4 75.84 1.12 1.2545 -5 3 1 75.93 2.34 1.2531 1 3 3 79.47 2.70 1.2060 0 4 0 80.25 1.58 1.1963 -2 0 5 80.61 4.49 1.1918 -3 3 3 81.27 2.42 1.1838 -5 3 2 81.49 1.46 1.1812 -1 1 5 81.78 2.80 1.1777 5 3 2 82.23 2.00 1.1723 -6 2 3 82.37 2.70 1.1707 7 1 3 82.80 2.31 1.1657 -4 2 4 84.84 1.32 1.1429 -4 3 3 85.05 2.71 1.1406 -8 2 1 86.90 3.40 1.1209 3 1 5 87.35 1.58 1.1163 -1 4 2 87.45 1.00 1.1153 1 4 2 88.93 3.39 1.1006 7 3 0 89.13 3.16 1.0986 -2 4 2 89.29 1.16 1.0971 4 4 0 89.33 1.59 1.0966 2 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.