Coesite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070565 Ikuta D, Kawame N, Banno S, Hirajima T, Ito K, Rakovan J F, Downs R T, Tamada O American Mineralogist 92 (2007) 57-63 First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China Note: Sample is on a thin section CELL PARAMETERS: 7.1260 12.3500 7.1170 90.000 119.580 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Si 0.14010 0.10830 0.07230 1.000 1.105 Si 0.50680 0.15810 0.54070 1.000 1.184 O 0.00000 0.00000 0.00000 1.000 1.263 O 0.50000 0.11620 0.75000 1.000 1.184 O 0.26690 0.12360 0.94060 1.000 1.579 O 0.31040 0.10420 0.32750 1.000 1.579 O 0.01670 0.21200 0.47800 1.000 1.342 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 11 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 7.146914030 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.34 6.29 6.1750 0 2 0 16.09 1.03 5.5083 -1 1 1 20.31 5.23 4.3715 0 2 1 25.89 73.18 3.4414 1 1 1 25.98 41.12 3.4291 1 3 0 26.04 13.59 3.4217 -1 3 1 26.06 6.47 3.4193 -1 1 2 28.81 17.67 3.0986 2 0 0 28.85 85.84 3.0947 0 0 2 28.92 100.00 3.0875 0 4 0 28.93 85.04 3.0860 -2 2 1 29.02 98.32 3.0772 -2 0 2 32.32 14.47 2.7695 2 2 0 32.36 7.62 2.7667 0 2 2 32.40 6.09 2.7628 0 4 1 32.51 2.13 2.7541 -2 2 2 33.14 31.32 2.7028 1 3 1 33.28 9.09 2.6921 -1 3 2 38.59 8.43 2.3333 -2 4 1 39.11 6.38 2.3034 1 1 2 39.25 3.97 2.2955 -3 1 1 39.27 2.67 2.2945 1 5 0 39.30 3.52 2.2923 -1 1 3 41.28 5.99 2.1871 2 4 0 41.31 2.18 2.1857 0 4 2 41.43 3.37 2.1795 -2 4 2 41.47 1.98 2.1776 -2 2 3 44.47 2.70 2.0374 3 1 0 44.55 8.64 2.0337 1 5 1 44.65 2.05 2.0296 -1 3 3 44.70 2.52 2.0272 -3 3 2 48.75 1.54 1.8678 2 4 1 49.36 9.38 1.8463 3 3 0 49.65 7.09 1.8361 -3 3 3 51.26 10.29 1.7823 -2 6 1 51.35 16.34 1.7792 -2 0 4 53.23 3.07 1.7207 2 2 2 53.41 3.00 1.7154 0 4 3 53.44 10.55 1.7145 2 6 0 53.46 4.19 1.7139 0 6 2 53.54 3.13 1.7116 -4 2 2 53.83 11.99 1.7031 1 1 3 54.04 5.97 1.6969 1 7 0 54.07 1.77 1.6960 -1 7 1 55.84 15.24 1.6465 -4 2 3 58.14 4.69 1.5867 1 3 3 58.22 3.45 1.5846 3 5 0 58.29 3.82 1.5828 1 7 1 58.34 1.16 1.5816 -1 3 4 58.38 3.43 1.5807 -1 7 2 59.67 7.48 1.5496 2 4 2 59.68 3.40 1.5493 4 0 0 59.76 1.80 1.5474 0 0 4 59.92 4.21 1.5438 0 8 0 59.95 3.42 1.5430 -4 4 2 60.01 3.67 1.5416 -2 4 4 60.14 3.94 1.5386 -4 0 4 61.73 1.51 1.5027 4 2 0 61.95 2.34 1.4979 0 8 1 65.95 1.80 1.4165 -2 8 1 66.05 2.88 1.4146 3 1 2 66.22 2.22 1.4113 1 5 3 66.30 1.14 1.4097 1 7 2 66.40 1.62 1.4079 -5 1 2 66.44 1.04 1.4072 -1 7 3 66.54 1.19 1.4053 -5 1 3 69.56 5.33 1.3514 2 6 2 69.82 7.27 1.3470 -4 6 2 69.90 3.29 1.3457 3 3 2 69.97 1.22 1.3445 1 1 4 70.15 2.24 1.3416 3 7 0 70.21 9.59 1.3405 -1 1 5 70.25 3.98 1.3399 -5 3 2 70.26 5.80 1.3398 1 9 0 70.39 3.85 1.3376 -3 7 3 70.46 1.29 1.3365 -3 3 5 70.49 2.79 1.3359 -5 1 4 71.32 4.39 1.3223 4 2 1 71.81 5.07 1.3145 -4 6 3 71.95 6.37 1.3123 -4 2 5 73.63 1.52 1.2864 -2 8 3 73.73 1.14 1.2850 1 3 4 73.97 3.40 1.2815 -1 3 5 74.04 7.24 1.2803 -1 9 2 74.24 3.77 1.2774 -5 3 4 77.04 3.46 1.2378 4 6 0 77.17 3.75 1.2360 0 8 3 77.35 3.43 1.2336 3 5 2 77.38 1.65 1.2333 5 1 0 77.69 1.23 1.2292 -5 5 2 77.69 1.16 1.2291 -1 7 4 78.02 1.44 1.2248 -5 1 5 81.02 2.67 1.1868 5 3 0 81.06 2.66 1.1863 1 5 4 81.23 3.83 1.1843 1 9 2 81.29 2.10 1.1836 -1 5 5 81.39 2.82 1.1823 -3 9 2 81.55 2.51 1.1804 -5 5 4 82.19 1.39 1.1729 4 0 2 82.48 1.54 1.1695 2 8 2 84.45 1.36 1.1471 3 3 3 86.53 2.95 1.1248 -4 6 5 88.13 1.01 1.1085 1 1 5 88.20 1.38 1.1078 5 5 0 88.69 1.57 1.1029 -3 7 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.