Muirite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120155 Khan A A, Baur W H Science 173 (1971) 916-918 Eight-membered cyclosilicate rings in muirite Locality: Esquire No. 7 mine, Big Creek, Fresno County, California CELL PARAMETERS: 14.0190 14.0190 5.6393 90.000 90.000 90.000 SPACE GROUP: P4/mmm ATOM X Y Z OCCUPANCY ISO(B) Ba 0.50000 0.16560 0.00000 1.000 1.150 Ba 0.00000 0.00000 0.00000 1.000 3.300 Ba 0.50000 0.50000 0.24470 0.500 1.780 Ba 0.26710 0.26710 0.50000 1.000 1.140 Ca 0.36350 0.00000 0.50000 0.500 0.500 Mn 0.36350 0.00000 0.50000 0.250 0.500 Ti 0.36350 0.00000 0.50000 0.250 0.500 Si 0.26540 0.10300 0.00000 1.000 0.970 O 0.20740 0.00000 0.00000 1.000 1.700 O 0.18010 0.18010 0.06430 0.500 1.300 O 0.32890 0.11410 0.23450 1.000 1.900 OH 0.50000 0.00000 0.26190 1.000 3.700 Wa 0.09770 0.09770 0.50000 1.000 4.700 Cl 0.50000 0.27770 0.50000 1.000 1.600 Cl 0.35250 0.35250 0.00000 1.000 1.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 12 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 32.32205650 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.30 3.00 14.0190 1 0 0 8.92 12.91 9.9129 1 1 0 12.63 6.82 7.0095 2 0 0 14.13 7.00 6.2695 2 1 0 15.71 5.44 5.6393 0 0 1 16.95 3.05 5.2319 1 0 1 17.90 10.80 4.9565 2 2 0 18.99 1.07 4.6730 3 0 0 20.03 18.41 4.4332 3 1 0 20.21 40.93 4.3938 2 0 1 21.19 13.11 4.1927 2 1 1 23.90 37.04 3.7229 2 2 1 24.74 39.25 3.5982 3 0 1 25.41 26.18 3.5048 4 0 0 25.56 10.10 3.4852 3 1 1 26.21 2.02 3.4001 4 1 0 26.98 29.54 3.3043 3 3 0 28.47 8.20 3.1347 4 2 0 30.02 9.70 2.9767 4 0 1 30.71 100.00 2.9118 4 1 1 31.38 20.84 2.8509 3 3 1 31.73 36.69 2.8196 0 0 2 31.92 14.35 2.8038 5 0 0 31.92 3.91 2.8038 4 3 0 32.68 39.55 2.7399 4 2 1 34.28 8.04 2.6159 2 0 2 34.45 17.72 2.6033 5 2 0 34.89 23.14 2.5715 2 1 2 35.76 2.46 2.5106 5 0 1 35.76 8.55 2.5106 4 3 1 36.25 4.48 2.4782 4 4 0 37.40 2.79 2.4042 5 3 0 38.07 1.77 2.3636 5 2 1 38.53 5.65 2.3365 6 0 0 39.73 10.26 2.2688 4 4 1 40.70 15.54 2.2166 6 2 0 40.80 1.10 2.2116 5 3 1 41.09 12.63 2.1969 4 0 2 41.61 6.49 2.1704 4 1 2 41.85 22.85 2.1586 6 0 1 42.13 21.22 2.1449 3 3 2 43.15 31.19 2.0964 4 2 2 43.29 6.53 2.0898 6 3 0 44.39 19.44 2.0410 5 4 1 45.63 1.04 1.9882 4 3 2 45.77 1.46 1.9826 7 1 0 45.77 3.99 1.9826 5 5 0 46.11 1.30 1.9685 5 1 2 46.33 7.41 1.9596 6 3 1 47.54 20.68 1.9127 5 2 2 48.22 2.78 1.8872 7 0 1 48.68 1.44 1.8704 7 1 1 48.68 1.34 1.8704 5 5 1 49.60 7.90 1.8379 6 4 1 49.84 2.10 1.8295 5 3 2 50.05 15.27 1.8223 7 2 1 50.25 3.92 1.8156 2 0 3 50.70 1.80 1.8006 2 1 3 50.87 1.32 1.7949 6 5 0 52.03 4.27 1.7576 2 2 3 52.20 8.50 1.7524 8 0 0 52.47 4.35 1.7440 3 0 3 52.51 2.85 1.7426 6 2 2 52.64 2.59 1.7388 7 4 0 53.93 1.61 1.7001 8 2 0 55.28 2.81 1.6616 8 1 1 55.47 1.10 1.6565 4 0 3 55.63 9.00 1.6522 6 6 0 55.89 13.97 1.6451 4 1 3 56.31 2.84 1.6339 3 3 3 56.35 1.28 1.6328 7 0 2 56.47 1.20 1.6297 7 5 0 56.76 2.24 1.6218 7 1 2 57.14 5.62 1.6121 4 2 3 57.59 1.55 1.6005 6 4 2 58.19 1.89 1.5855 6 6 1 58.59 1.14 1.5755 8 3 1 59.18 1.29 1.5613 4 3 3 59.33 1.91 1.5577 9 0 0 60.93 1.62 1.5206 7 6 0 61.21 6.07 1.5142 6 5 2 61.39 4.25 1.5101 8 4 1 61.96 2.74 1.4977 4 4 3 62.39 4.45 1.4884 8 0 2 62.78 5.66 1.4800 7 4 2 62.78 3.65 1.4800 8 1 2 62.89 4.56 1.4777 9 3 0 63.35 3.95 1.4681 9 2 1 63.52 4.49 1.4646 6 0 3 63.95 4.57 1.4559 8 2 2 64.89 1.30 1.4370 8 5 1 65.27 7.63 1.4295 9 3 1 65.44 4.78 1.4262 5 4 3 65.48 7.43 1.4255 6 6 2 65.59 2.99 1.4234 9 4 0 66.24 3.26 1.4110 7 5 2 66.30 6.48 1.4098 0 0 4 66.96 1.45 1.3976 6 3 3 67.92 5.28 1.3801 9 4 1 68.86 3.15 1.3634 9 0 2 68.97 1.44 1.3616 9 5 0 69.40 2.13 1.3541 10 1 1 69.57 2.77 1.3514 6 4 3 69.94 5.09 1.3451 7 2 3 70.34 1.31 1.3384 9 2 2 70.51 1.50 1.3356 10 2 1 72.17 2.64 1.3089 9 3 2 72.23 2.22 1.3080 4 0 4 72.96 2.55 1.2967 3 3 4 73.68 1.35 1.2858 4 2 4 74.31 1.32 1.2765 8 1 3 74.44 1.12 1.2745 11 0 0 74.87 1.43 1.2683 10 4 1 75.23 3.71 1.2631 9 6 1 75.48 1.56 1.2596 5 0 4 76.13 1.53 1.2503 10 1 2 76.90 2.61 1.2397 5 2 4 77.66 1.08 1.2295 11 3 0 77.91 2.52 1.2262 9 5 2 78.08 1.40 1.2240 11 2 1 79.64 1.99 1.2038 8 4 3 79.84 2.33 1.2013 9 7 1 80.13 1.08 1.1977 11 4 0 80.38 2.77 1.1946 8 7 2 80.79 3.07 1.1896 6 2 4 81.40 1.69 1.1822 9 2 3 82.54 1.21 1.1687 6 3 4 82.58 1.53 1.1682 12 0 0 83.15 2.86 1.1617 9 3 3 83.18 3.15 1.1613 11 0 2 84.58 1.44 1.1457 10 5 2 85.59 2.71 1.1348 9 4 3 86.48 3.26 1.1254 10 7 1 86.98 1.13 1.1202 10 1 3 87.86 1.66 1.1112 12 3 1 88.74 2.33 1.1024 11 4 2 88.84 1.55 1.1014 9 9 0 89.15 2.79 1.0985 8 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.