Gillespite Hazen R M, Burnham C W American Mineralogist 59 (1974) 1166-1176 The crystal structures of gillespite I and II: A structure determination at high pressure P = 26 kbar, known as gillespite II _database_code_amcsd 0000430 CELL PARAMETERS: 7.3490 7.5150 7.8940 90.000 90.000 90.000 SPACE GROUP: P2_12_12 X-RAY WAVELENGTH: 1.541838 Cell Volume: 435.968 Density (g/cm3): 3.546 MAX. ABS. INTENSITY / VOLUME**2: 21.17037866 RIR: 1.944 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.21 61.53 7.8940 0 0 1 2 16.87 11.33 5.2542 1 1 0 4 20.30 76.13 4.3739 1 1 1 4 22.53 6.35 3.9470 0 0 2 2 25.49 15.51 3.4944 0 1 2 4 25.62 14.90 3.4772 1 0 2 4 26.27 67.49 3.3928 0 2 1 4 26.76 75.09 3.3313 2 0 1 4 27.01 3.88 3.3010 2 1 0 4 28.28 100.00 3.1558 1 1 2 4 28.99 24.45 3.0803 1 2 1 4 29.33 17.65 3.0455 2 1 1 4 32.91 19.77 2.7215 0 2 2 4 33.31 17.30 2.6894 2 0 2 4 34.07 4.23 2.6313 0 0 3 2 34.13 52.99 2.6271 2 2 0 4 35.16 2.53 2.5521 1 2 2 4 36.03 15.02 2.4927 2 2 1 4 37.67 6.97 2.3877 0 3 1 4 37.95 8.64 2.3710 1 3 0 4 38.25 38.40 2.3528 1 1 3 4 38.48 2.26 2.3396 3 0 1 4 38.66 4.39 2.3291 3 1 0 4 39.69 11.29 2.2708 1 3 1 4 40.38 9.50 2.2339 3 1 1 4 41.28 8.29 2.1870 2 2 2 4 41.91 1.23 2.1554 0 2 3 4 43.77 2.35 2.0683 1 2 3 4 44.01 1.05 2.0576 2 1 3 4 44.58 12.56 2.0325 1 3 2 4 45.20 16.60 2.0059 3 1 2 4 45.68 1.06 1.9861 3 2 1 4 45.99 4.80 1.9735 0 0 4 2 47.64 3.48 1.9088 0 1 4 4 47.72 2.71 1.9060 1 0 4 4 48.45 10.58 1.8787 0 4 0 2 49.00 4.55 1.8591 2 2 3 4 49.33 7.79 1.8475 1 1 4 4 49.62 8.81 1.8372 4 0 0 2 49.74 4.27 1.8330 2 3 2 4 49.90 3.04 1.8277 0 4 1 4 50.10 7.53 1.8207 3 2 2 4 50.29 1.01 1.8143 0 3 3 4 51.04 2.31 1.7894 4 0 1 4 51.91 14.44 1.7614 1 3 3 4 52.37 2.04 1.7472 0 2 4 4 52.47 14.22 1.7440 3 1 3 4 52.64 1.95 1.7386 2 0 4 4 53.60 4.53 1.7098 3 3 1 4 54.15 1.17 1.6939 2 1 4 4 54.89 3.57 1.6728 2 4 0 4 55.60 1.99 1.6529 1 4 2 4 55.69 3.21 1.6505 4 2 0 4 56.21 9.68 1.6364 2 4 1 4 57.00 9.31 1.6156 4 2 1 4 57.57 10.36 1.6009 3 3 2 4 58.49 3.22 1.5779 2 2 4 4 60.07 1.32 1.5402 2 4 2 4 60.83 2.03 1.5227 4 2 2 4 61.09 4.04 1.5168 1 3 4 4 61.31 1.64 1.5120 1 1 5 4 61.60 3.05 1.5057 3 1 4 4 63.84 3.52 1.4580 3 3 3 4 63.94 2.09 1.4561 4 3 1 4 63.96 5.64 1.4555 0 2 5 4 64.21 6.43 1.4506 2 0 5 4 64.36 1.89 1.4476 1 5 1 4 65.33 3.29 1.4283 2 3 4 4 65.64 3.26 1.4224 3 2 4 4 65.82 2.41 1.4190 5 1 1 4 66.58 1.41 1.4046 0 5 2 4 67.94 6.14 1.3796 1 5 2 4 68.49 2.11 1.3700 2 5 1 4 69.36 5.21 1.3548 5 1 2 4 69.46 1.27 1.3532 2 2 5 4 69.73 2.55 1.3487 5 2 1 4 69.96 2.69 1.3447 4 0 4 4 70.36 1.27 1.3380 1 4 4 4 71.74 1.55 1.3157 0 0 6 2 71.87 1.92 1.3136 4 4 0 4 72.10 2.41 1.3099 3 3 4 4 73.02 1.53 1.2957 4 4 1 4 73.73 2.61 1.2850 1 5 3 4 74.33 1.68 1.2761 2 4 4 4 75.10 2.46 1.2649 5 1 3 4 78.50 1.13 1.2185 3 5 2 4 80.29 1.16 1.1957 0 5 4 4 81.57 1.18 1.1802 1 5 4 4 81.89 3.58 1.1764 2 2 6 4 82.23 1.21 1.1724 2 6 1 4 82.90 1.29 1.1646 5 1 4 4 84.01 1.13 1.1521 6 2 1 4 84.03 3.25 1.1518 3 5 3 4 84.36 2.57 1.1482 2 4 5 4 84.91 3.15 1.1421 5 3 3 4 85.02 2.65 1.1409 4 2 5 4 85.53 1.03 1.1354 2 6 2 4 89.66 1.09 1.0935 4 4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.