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 = 1 atm _database_code_amcsd 0000429 CELL PARAMETERS: 7.5164 7.5164 16.0768 90.000 90.000 90.000 SPACE GROUP: P4/ncc X-RAY WAVELENGTH: 1.541838 Cell Volume: 908.279 Density (g/cm3): 3.404 MAX. ABS. INTENSITY / VOLUME**2: 31.16186281 RIR: 2.981 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.01 36.88 8.0384 0 0 2 2 16.14 1.78 5.4902 1 0 2 8 16.68 11.19 5.3149 1 1 0 4 20.03 49.84 4.4334 1 1 2 8 22.12 5.40 4.0192 0 0 4 2 25.13 24.80 3.5443 1 0 4 8 26.18 100.00 3.4045 2 0 2 8 27.10 6.77 3.2903 2 1 1 16 27.83 65.72 3.2058 1 1 4 8 28.79 31.87 3.1012 2 1 2 16 32.62 31.90 2.7451 2 0 4 8 33.44 3.92 2.6795 0 0 6 2 33.73 35.99 2.6574 2 2 0 4 35.58 13.08 2.5231 2 2 2 8 37.59 30.16 2.3926 1 1 6 8 37.60 2.97 2.3920 3 0 2 8 37.85 8.23 2.3769 3 1 0 8 38.28 1.21 2.3513 3 1 1 16 39.54 17.90 2.2793 3 1 2 16 40.70 8.12 2.2167 2 2 4 8 41.38 1.65 2.1817 2 0 6 8 43.18 3.02 2.0953 2 1 6 16 43.79 2.10 2.0674 3 2 1 16 44.27 23.32 2.0459 3 1 4 16 44.92 1.92 2.0179 3 2 2 16 45.12 4.88 2.0096 0 0 8 2 46.79 7.10 1.9414 1 0 8 8 47.57 1.50 1.9113 3 1 5 16 48.23 2.91 1.8868 2 2 6 8 48.43 7.39 1.8797 1 1 8 8 48.44 18.39 1.8791 4 0 0 4 49.24 7.46 1.8506 3 2 4 16 49.84 4.12 1.8298 4 0 2 8 50.38 2.11 1.8114 4 1 1 16 51.39 23.49 1.7781 3 1 6 16 51.57 3.18 1.7722 2 0 8 8 52.92 3.35 1.7301 3 3 2 8 54.60 6.90 1.6807 4 2 0 8 55.34 2.59 1.6602 4 1 4 16 55.89 18.01 1.6451 4 2 2 16 56.79 10.71 1.6211 3 3 4 8 57.50 2.81 1.6029 2 2 8 8 59.63 2.78 1.5506 4 2 4 16 60.13 1.31 1.5388 1 1 10 8 60.14 3.03 1.5385 4 0 6 8 60.31 6.86 1.5346 3 1 8 16 62.00 1.63 1.4968 4 3 1 16 62.87 12.26 1.4781 2 0 10 8 62.89 4.52 1.4778 3 3 6 8 62.89 1.59 1.4777 4 3 2 16 64.24 3.67 1.4499 5 1 2 16 64.39 5.28 1.4468 3 2 8 16 65.70 1.63 1.4213 5 1 3 16 66.39 1.75 1.4080 5 0 4 8 67.70 9.66 1.3839 5 1 4 16 68.17 2.00 1.3755 2 2 10 8 68.19 4.57 1.3752 5 2 2 16 68.34 4.03 1.3725 4 0 8 8 69.63 2.21 1.3502 4 1 8 16 70.26 2.25 1.3397 0 0 12 2 70.75 1.33 1.3317 3 1 10 16 70.92 2.25 1.3289 3 3 8 8 70.93 2.14 1.3287 4 4 0 4 72.04 1.63 1.3109 4 4 2 8 73.30 5.86 1.2915 5 1 6 16 73.45 2.39 1.2893 4 2 8 16 73.46 1.65 1.2891 5 3 0 8 74.56 1.97 1.2728 5 3 2 16 75.96 1.22 1.2527 6 0 0 4 76.84 1.52 1.2405 5 1 7 16 77.04 2.33 1.2378 6 0 2 8 77.81 2.38 1.2275 5 3 4 16 79.65 1.92 1.2038 5 0 8 8 80.24 5.45 1.1963 2 2 12 8 80.87 2.76 1.1886 5 1 8 16 80.88 1.52 1.1884 6 2 0 8 81.95 3.19 1.1757 6 2 2 16 82.68 1.48 1.1671 3 1 12 16 83.15 7.32 1.1618 4 2 10 16 83.16 6.80 1.1616 5 3 6 16 85.13 2.74 1.1397 6 2 4 16 86.76 1.21 1.1224 1 1 14 8 88.14 1.62 1.1084 4 4 8 8 89.93 2.15 1.0909 4 0 12 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.