Gillespite Hazen R M, Finger L W American Mineralogist 68 (1983) 595-603 High-pressure and high-temperature crystallographic study of the gillespite I-II phase transition Note O2 y-coordinate changed to reproduce reported bond lengths P = 45 kbar Locality: Fresno Co, California, USA _database_code_amcsd 0000900 CELL PARAMETERS: 7.4450 7.2240 7.7830 90.000 90.000 90.000 SPACE GROUP: P2_12_12 X-RAY WAVELENGTH: 1.541838 Cell Volume: 418.591 Density (g/cm3): 3.693 MAX. ABS. INTENSITY / VOLUME**2: 19.58064405 RIR: 1.727 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.37 58.09 7.7830 0 0 1 2 16.48 7.89 5.3799 1 0 1 4 17.10 17.86 5.1845 1 1 0 4 20.58 89.22 4.3148 1 1 1 4 22.85 9.64 3.8915 0 0 2 2 23.90 1.40 3.7225 2 0 0 2 25.83 44.38 3.4488 1 0 2 4 26.01 1.63 3.4260 0 1 2 4 26.54 80.26 3.3582 2 0 1 4 26.94 1.24 3.3090 2 1 0 4 27.22 79.42 3.2764 0 2 1 4 27.45 11.16 3.2497 1 2 0 4 28.68 100.00 3.1123 1 1 2 4 29.33 14.14 3.0452 2 1 1 4 29.79 34.98 2.9988 1 2 1 4 33.31 15.24 2.6900 2 0 2 4 33.86 28.42 2.6474 0 2 2 4 34.57 7.72 2.5943 0 0 3 2 34.60 60.44 2.5923 2 2 0 4 35.61 9.43 2.5209 2 1 2 4 36.01 8.29 2.4944 1 2 2 4 36.54 26.15 2.4594 2 2 1 4 36.68 7.34 2.4499 1 0 3 4 36.81 2.44 2.4417 0 1 3 4 38.06 10.66 2.3644 3 0 1 4 38.35 14.26 2.3470 3 1 0 4 38.81 40.18 2.3201 1 1 3 4 39.32 4.32 2.2911 1 3 0 4 40.13 16.09 2.2471 3 1 1 4 41.07 13.97 2.1979 1 3 1 4 41.87 11.06 2.1574 2 2 2 4 44.23 1.90 2.0477 0 3 2 4 44.28 3.29 2.0454 3 2 0 4 44.37 20.13 2.0417 2 1 3 4 44.70 1.94 2.0275 1 2 3 4 45.11 15.49 2.0098 3 1 2 4 45.87 5.77 1.9782 3 2 1 4 45.97 26.06 1.9744 1 3 2 4 46.68 4.18 1.9457 0 0 4 2 48.45 13.21 1.8788 0 1 4 4 48.94 13.48 1.8613 4 0 0 2 49.72 4.26 1.8337 2 2 3 4 50.07 6.43 1.8217 1 1 4 4 50.40 11.30 1.8106 3 2 2 4 50.41 4.70 1.8102 4 0 1 4 50.54 12.85 1.8060 0 4 0 2 50.90 2.68 1.7941 2 3 2 4 51.80 1.79 1.7649 0 3 3 4 51.98 4.71 1.7593 0 4 1 4 52.11 2.48 1.7551 1 4 0 4 52.58 17.56 1.7405 3 1 3 4 53.11 3.25 1.7244 2 0 4 4 53.35 12.91 1.7173 1 3 3 4 53.49 1.16 1.7130 0 2 4 4 53.52 2.08 1.7121 1 4 1 4 54.38 8.14 1.6871 3 3 1 4 54.66 1.60 1.6791 4 0 2 4 54.73 8.34 1.6773 2 1 4 4 55.01 5.22 1.6694 1 2 4 4 55.54 6.20 1.6545 4 2 0 4 56.25 1.36 1.6355 4 1 2 4 56.65 6.12 1.6249 2 4 0 4 56.90 13.67 1.6183 4 2 1 4 57.36 1.10 1.6062 3 2 3 4 57.61 4.84 1.5999 1 4 2 4 57.82 1.91 1.5948 2 3 3 4 57.98 11.91 1.5906 2 4 1 4 58.43 12.41 1.5794 3 3 2 4 60.46 2.34 1.5312 3 0 4 4 60.79 1.31 1.5237 1 0 5 4 60.84 2.16 1.5226 4 2 2 4 60.88 3.35 1.5217 0 1 5 4 61.25 1.71 1.5134 0 3 4 4 61.30 1.25 1.5123 4 0 3 4 61.88 5.41 1.4994 2 4 2 4 61.95 4.03 1.4979 3 1 4 4 62.28 1.03 1.4909 1 1 5 4 62.64 1.93 1.4831 1 3 4 4 62.68 2.18 1.4822 0 4 3 4 62.77 1.73 1.4802 4 1 3 4 63.73 1.69 1.4603 3 4 0 4 64.05 1.86 1.4537 1 4 3 4 64.82 5.67 1.4383 3 3 3 4 64.93 4.27 1.4361 2 0 5 4 64.98 4.37 1.4352 3 4 1 4 65.07 4.07 1.4334 5 1 1 4 65.27 4.90 1.4295 0 2 5 4 66.37 4.60 1.4085 2 1 5 4 66.62 1.71 1.4039 1 2 5 4 66.72 12.24 1.4020 2 3 4 4 67.08 3.69 1.3954 1 5 1 4 67.33 4.03 1.3907 5 0 2 4 68.65 1.68 1.3672 3 4 2 4 68.74 8.03 1.3656 5 1 2 4 69.32 5.27 1.3556 5 2 1 4 70.58 1.63 1.3345 2 2 5 4 70.69 6.22 1.3326 1 5 2 4 71.02 1.84 1.3272 2 5 1 4 71.24 3.38 1.3237 0 4 4 4 71.33 7.00 1.3223 4 1 4 4 72.28 4.87 1.3073 0 3 5 4 72.99 2.79 1.2961 4 4 0 4 73.26 2.80 1.2921 3 3 4 4 73.30 2.61 1.2914 5 0 3 4 74.02 2.08 1.2807 4 3 3 4 74.17 4.01 1.2785 4 4 1 4 74.21 3.57 1.2779 1 0 6 4 74.29 1.09 1.2767 0 1 6 4 74.56 1.34 1.2728 2 5 2 4 74.66 3.95 1.2713 5 1 3 4 75.00 1.35 1.2664 5 3 0 4 75.41 2.90 1.2604 4 2 4 4 75.56 1.49 1.2584 1 1 6 4 76.16 1.58 1.2500 5 3 1 4 76.26 2.47 1.2486 3 5 0 4 76.55 4.75 1.2445 1 5 3 4 76.82 1.61 1.2408 6 0 0 2 76.98 2.90 1.2387 3 2 5 4 77.37 1.35 1.2334 2 3 5 4 77.41 1.44 1.2328 3 5 1 4 77.64 1.63 1.2297 4 4 2 4 77.97 1.84 1.2254 6 0 1 4 79.34 1.50 1.2077 2 1 6 4 79.57 2.50 1.2047 1 2 6 4 79.61 4.60 1.2043 5 3 2 4 79.63 1.60 1.2040 0 6 0 2 80.32 2.80 1.1954 2 5 3 4 80.77 1.43 1.1898 0 6 1 4 80.85 1.68 1.1889 3 5 2 4 81.75 2.74 1.1781 4 1 5 4 82.07 2.10 1.1742 4 3 4 4 82.13 1.75 1.1735 6 2 0 4 82.70 1.86 1.1670 5 1 4 4 82.90 1.09 1.1646 1 4 5 4 83.27 3.02 1.1604 6 2 1 4 83.30 2.44 1.1600 2 2 6 4 83.30 2.65 1.1600 0 5 4 4 84.17 1.02 1.1502 0 6 2 4 84.23 1.19 1.1496 3 0 6 4 84.54 1.92 1.1462 1 5 4 4 84.59 1.17 1.1456 2 6 0 4 85.28 3.84 1.1381 5 3 3 4 85.41 1.07 1.1367 1 6 2 4 85.69 2.46 1.1337 4 2 5 4 85.72 3.19 1.1334 2 6 1 4 86.50 4.94 1.1251 3 5 3 4 86.60 2.16 1.1240 2 4 5 4 86.63 1.74 1.1238 5 2 4 4 86.65 2.21 1.1235 6 2 2 4 88.36 1.12 1.1062 6 1 3 4 88.80 1.17 1.1019 5 4 2 4 89.02 1.48 1.0997 1 0 7 4 89.46 3.35 1.0955 3 2 6 4 89.84 1.89 1.0918 2 3 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.