Muirite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140248 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: 14.0640 14.0640 5.6890 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: 31.79971192 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.28 2.98 14.0640 1 0 0 8.89 12.82 9.9447 1 1 0 12.59 6.78 7.0320 2 0 0 14.08 6.95 6.2896 2 1 0 15.58 5.48 5.6890 0 0 1 16.81 3.07 5.2739 1 0 1 17.84 10.73 4.9724 2 2 0 18.93 1.07 4.6880 3 0 0 19.96 18.29 4.4474 3 1 0 20.08 40.99 4.4228 2 0 1 21.06 13.12 4.2191 2 1 1 23.77 37.04 3.7439 2 2 1 24.61 39.23 3.6179 3 0 1 25.33 26.03 3.5160 4 0 0 25.42 10.10 3.5038 3 1 1 26.12 2.01 3.4110 4 1 0 26.90 29.37 3.3149 3 3 0 28.38 8.15 3.1448 4 2 0 29.87 9.69 2.9909 4 0 1 30.56 100.00 2.9255 4 1 1 31.23 20.84 2.8642 3 3 1 31.45 37.12 2.8445 0 0 2 31.81 14.29 2.8128 5 0 0 31.81 3.89 2.8128 4 3 0 32.53 39.54 2.7523 4 2 1 34.00 8.11 2.6369 2 0 2 34.34 17.65 2.6116 5 2 0 34.61 23.39 2.5918 2 1 2 35.61 2.46 2.5214 5 0 1 35.61 8.54 2.5214 4 3 1 36.13 4.47 2.4862 4 4 0 37.28 2.78 2.4120 5 3 0 37.91 1.77 2.3735 5 2 1 38.40 5.63 2.3440 6 0 0 39.56 10.24 2.2781 4 4 1 40.57 15.48 2.2237 6 2 0 40.63 1.10 2.2206 5 3 1 40.80 12.74 2.2114 4 0 2 41.33 6.53 2.1846 4 1 2 41.67 22.84 2.1672 6 0 1 41.85 21.41 2.1587 3 3 2 42.87 31.42 2.1096 4 2 2 43.15 6.51 2.0965 6 3 0 44.20 19.43 2.0490 5 4 1 45.34 1.05 2.0001 4 3 2 45.61 1.46 1.9890 7 1 0 45.61 3.99 1.9890 5 5 0 45.83 1.30 1.9801 5 1 2 46.14 7.41 1.9672 6 3 1 47.25 20.80 1.9238 5 2 2 48.02 2.77 1.8945 7 0 1 48.49 1.44 1.8775 7 1 1 48.49 1.34 1.8775 5 5 1 49.40 7.90 1.8449 6 4 1 49.55 2.13 1.8396 5 3 2 49.80 3.98 1.8309 2 0 3 49.85 15.26 1.8292 7 2 1 50.25 1.83 1.8156 2 1 3 50.70 1.32 1.8007 6 5 0 51.58 4.33 1.7719 2 2 3 52.02 8.48 1.7580 8 0 0 52.02 4.41 1.7580 3 0 3 52.21 2.86 1.7519 6 2 2 52.45 2.59 1.7444 7 4 0 53.75 1.60 1.7055 8 2 0 55.02 1.11 1.6691 4 0 3 55.06 2.81 1.6678 8 1 1 55.44 8.98 1.6575 6 6 0 55.44 14.20 1.6574 4 1 3 55.85 2.88 1.6460 3 3 3 56.04 1.29 1.6411 7 0 2 56.27 1.20 1.6349 7 5 0 56.45 2.25 1.6300 7 1 2 56.68 5.71 1.6239 4 2 3 57.27 1.56 1.6085 6 4 2 57.95 1.89 1.5913 6 6 1 58.36 1.14 1.5812 8 3 1 58.72 1.31 1.5724 4 3 3 59.12 1.90 1.5627 9 0 0 60.71 1.61 1.5255 7 6 0 60.89 6.12 1.5215 6 5 2 61.15 4.25 1.5156 8 4 1 61.50 2.77 1.5078 4 4 3 62.06 4.47 1.4954 8 0 2 62.45 5.69 1.4871 7 4 2 62.45 3.67 1.4871 8 1 2 62.67 4.55 1.4825 9 3 0 63.06 4.55 1.4743 6 0 3 63.10 3.95 1.4734 9 2 1 63.61 4.59 1.4627 8 2 2 64.63 1.30 1.4421 8 5 1 64.97 4.84 1.4354 5 4 3 65.01 7.64 1.4346 9 3 1 65.14 7.46 1.4321 6 6 2 65.35 2.99 1.4280 9 4 0 65.65 6.63 1.4223 0 0 4 65.90 3.27 1.4175 7 5 2 66.48 1.46 1.4064 6 3 3 67.64 5.28 1.3850 9 4 1 68.51 3.16 1.3696 9 0 2 68.72 1.44 1.3660 9 5 0 69.09 2.80 1.3596 6 4 3 69.13 2.13 1.3589 10 1 1 69.45 5.14 1.3533 7 2 3 69.98 1.32 1.3443 9 2 2 70.23 1.49 1.3403 10 2 1 71.56 2.26 1.3185 4 0 4 71.81 2.65 1.3146 9 3 2 72.29 2.59 1.3070 3 3 4 73.01 1.37 1.2959 4 2 4 73.81 1.33 1.2838 8 1 3 74.17 1.11 1.2785 11 0 0 74.56 1.43 1.2727 10 4 1 74.80 1.59 1.2692 5 0 4 74.92 3.70 1.2675 9 6 1 75.75 1.54 1.2557 10 1 2 76.23 2.65 1.2490 5 2 4 77.36 1.08 1.2335 11 3 0 77.52 2.53 1.2314 9 5 2 77.75 1.40 1.2283 11 2 1 79.12 2.00 1.2104 8 4 3 79.51 2.33 1.2055 9 7 1 79.82 1.08 1.2016 11 4 0 79.98 2.78 1.1996 8 7 2 80.10 3.11 1.1981 6 2 4 80.87 1.70 1.1886 9 2 3 81.84 1.22 1.1770 6 3 4 82.26 1.53 1.1720 12 0 0 82.61 2.88 1.1679 9 3 3 82.76 3.16 1.1662 11 0 2 84.15 1.44 1.1504 10 5 2 85.03 2.73 1.1407 9 4 3 86.11 3.26 1.1292 10 7 1 86.42 1.14 1.1260 10 1 3 87.49 1.66 1.1150 12 3 1 88.29 2.33 1.1069 11 4 2 88.41 2.82 1.1057 8 0 4 88.48 1.55 1.1050 9 9 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.