Coccinite Schwarzenbach D, Birkedal H, Hostettler M, Fischer P Acta Crystallographica B63 (2007) 828-835 Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 10 K, powder neutron data Locality: synthetic, Fluka 83379 _database_code_amcsd 0019547 CELL PARAMETERS: 4.3580 4.3580 12.3000 90.000 90.000 90.000 SPACE GROUP: P4_2/nmc X-RAY WAVELENGTH: 1.541838 Cell Volume: 233.604 Density (g/cm3): 6.459 MAX. ABS. INTENSITY / VOLUME**2: 190.8708692 RIR: 9.622 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.40 30.52 6.1500 0 0 2 2 21.63 91.51 4.1078 1 0 1 8 25.04 100.00 3.5558 1 0 2 8 28.98 1.53 3.0816 1 1 0 4 29.92 41.60 2.9862 1 0 3 8 32.50 53.23 2.7551 1 1 2 8 35.74 6.60 2.5125 1 0 4 8 41.44 43.66 2.1790 2 0 0 4 41.49 79.08 2.1767 1 1 4 8 42.18 16.62 2.1423 1 0 5 8 44.09 8.17 2.0539 2 0 2 8 44.18 10.76 2.0500 0 0 6 2 47.22 24.10 1.9249 2 1 1 16 49.03 31.08 1.8579 2 1 2 16 49.11 10.67 1.8550 1 0 6 8 51.95 18.22 1.7602 2 1 3 16 55.85 3.55 1.6462 2 1 4 16 56.47 7.11 1.6297 1 0 7 8 60.05 14.52 1.5408 2 2 0 4 60.19 4.87 1.5375 0 0 8 2 60.62 11.50 1.5276 2 1 5 16 62.10 3.01 1.4946 2 2 2 8 62.17 15.55 1.4931 2 0 6 8 64.24 3.87 1.4499 1 0 8 8 64.60 4.75 1.4426 3 0 1 8 66.09 6.26 1.4138 3 0 2 8 66.16 8.61 1.4125 2 1 6 16 68.53 4.00 1.3693 3 0 3 8 69.96 11.77 1.3448 3 1 2 16 72.42 6.84 1.3050 2 1 7 16 72.48 3.41 1.3040 1 0 9 8 75.61 26.95 1.2576 3 1 4 16 75.71 9.99 1.2563 2 0 8 8 76.09 2.99 1.2509 3 0 5 8 77.50 8.27 1.2317 2 2 6 8 79.38 4.24 1.2071 2 1 8 16 79.72 5.32 1.2029 3 2 1 16 81.09 7.08 1.1860 3 2 2 16 81.15 2.44 1.1853 3 0 6 8 83.36 4.80 1.1594 3 2 3 16 84.88 9.54 1.1424 1 1 10 8 86.52 1.04 1.1249 3 2 4 16 87.03 2.19 1.1196 3 0 7 8 87.09 4.38 1.1190 2 1 9 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.