CaSO4 Crichton W A, Parise J B, Antao S M, Grzechnik A American Mineralogist 90 (2005) 22-27 Evidence for monazite-, barite-, and AgMnO4 (distorted barite)-type structures of CaSO4 at high pressure and temperature Sample: P = 11.8 GPa _database_code_amcsd 0003661 CELL PARAMETERS: 6.3769 6.6439 6.1667 90.000 102.220 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 255.348 Density (g/cm3): 3.541 MAX. ABS. INTENSITY / VOLUME**2: 11.33868694 RIR: 1.043 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.53 13.46 4.5455 1 1 0 4 22.59 5.20 3.9361 1 0 1 2 22.61 3.33 3.9327 -1 1 1 4 26.84 28.19 3.3219 0 2 0 2 28.65 82.53 3.1162 2 0 0 2 29.64 2.38 3.0135 0 0 2 2 30.49 100.00 2.9315 1 2 0 4 30.73 12.09 2.9093 0 2 1 4 31.72 17.54 2.8213 2 1 0 4 32.36 3.73 2.7669 -2 1 1 4 32.61 4.13 2.7459 -1 2 1 4 32.63 88.95 2.7444 0 1 2 4 33.03 35.09 2.7119 -1 1 2 4 35.36 6.72 2.5387 1 2 1 4 36.84 28.03 2.4396 -2 0 2 2 38.30 2.85 2.3501 1 1 2 4 39.34 15.05 2.2901 -2 1 2 4 39.66 3.01 2.2727 2 2 0 4 40.41 1.82 2.2320 0 2 2 4 42.94 14.71 2.1062 -3 0 1 2 43.54 14.93 2.0787 0 3 1 4 44.35 17.88 2.0425 -1 0 3 2 44.73 7.80 2.0258 2 2 1 4 44.95 1.87 2.0166 -1 3 1 4 45.16 8.00 2.0077 -3 1 1 4 46.12 1.56 1.9681 2 0 2 2 47.08 3.65 1.9301 1 3 1 4 48.23 43.15 1.8870 2 1 2 4 49.67 1.61 1.8354 -3 1 2 4 50.56 2.25 1.8052 2 3 0 4 50.60 1.58 1.8039 1 0 3 2 51.00 3.11 1.7907 -2 3 1 4 51.34 1.42 1.7798 3 1 1 4 51.37 1.07 1.7788 -3 2 1 4 51.47 43.20 1.7755 -1 3 2 4 51.91 10.85 1.7614 3 2 0 4 53.29 3.83 1.7191 0 2 3 4 54.85 4.75 1.6738 2 3 1 4 55.29 20.96 1.6614 1 3 2 4 55.31 3.95 1.6610 0 4 0 2 55.50 17.96 1.6556 -3 2 2 4 56.09 1.42 1.6398 -2 3 2 4 57.41 11.57 1.6050 1 4 0 4 59.31 2.96 1.5581 4 0 0 2 60.88 6.26 1.5217 -4 0 2 2 60.90 1.75 1.5213 3 1 2 4 61.09 5.55 1.5169 4 1 0 4 61.17 1.15 1.5152 3 3 0 4 61.55 2.16 1.5067 0 0 4 2 62.41 2.13 1.4880 0 3 3 4 62.54 2.50 1.4853 -2 0 4 2 64.26 2.58 1.4495 -2 1 4 4 64.42 7.89 1.4463 -3 3 2 4 66.73 1.63 1.4017 2 2 3 4 66.94 4.26 1.3979 -1 2 4 4 67.73 1.36 1.3834 -4 2 2 4 68.32 1.47 1.3730 -2 4 2 4 69.53 1.09 1.3520 -4 1 3 4 70.44 1.38 1.3368 -3 1 4 4 72.92 2.71 1.2973 3 4 0 4 73.47 8.75 1.2889 1 2 4 4 74.20 1.23 1.2781 4 0 2 2 74.28 5.66 1.2769 3 3 2 4 74.91 1.15 1.2677 2 3 3 4 75.10 3.90 1.2649 -1 3 4 4 75.28 2.24 1.2623 -3 2 4 4 75.71 3.62 1.2563 2 0 4 2 75.79 2.00 1.2551 4 1 2 4 75.92 3.14 1.2533 -3 4 2 4 77.99 1.64 1.2251 5 1 0 4 78.21 2.48 1.2223 2 5 0 4 78.40 1.18 1.2198 -4 0 4 2 78.70 4.14 1.2158 0 5 2 4 79.53 1.65 1.2052 4 3 1 4 79.97 5.75 1.1998 -4 1 4 4 82.00 1.24 1.1751 2 2 4 4 82.04 1.27 1.1746 1 5 2 4 82.51 3.83 1.1691 -5 2 2 4 82.69 1.79 1.1670 5 2 0 4 82.70 3.25 1.1669 -2 5 2 4 83.14 7.15 1.1618 -3 3 4 4 83.78 3.35 1.1546 5 1 1 4 85.16 1.09 1.1394 1 0 5 2 86.07 2.14 1.1297 -1 4 4 4 86.71 1.22 1.1230 1 1 5 4 88.25 3.06 1.1073 0 6 0 2 88.26 1.25 1.1072 -2 4 4 4 88.86 3.74 1.1013 2 5 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.