Guyanaite Jahn S, Wunder B, Koch-Muller M, Tarrieu L, Pohle M, Watenphul A, Taran M N European Journal of Mineralogy 24 (2012) 839-850 Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9 Locality: synthetic at 4.0 GPa and 600 deg C for 24 hours _database_code_amcsd 0019392 CELL PARAMETERS: 4.8623 4.2972 2.9567 90.000 90.000 90.000 SPACE GROUP: Pnnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 61.778 Density (g/cm3): 4.623 MAX. ABS. INTENSITY / VOLUME**2: 41.89392922 RIR: 2.951 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 27.70 100.00 3.2199 1 1 0 4 35.54 21.24 2.5263 1 0 1 4 36.90 65.78 2.4358 0 1 1 4 36.98 19.55 2.4311 2 0 0 2 41.46 16.51 2.1778 1 1 1 8 42.05 4.00 2.1486 0 2 0 2 42.73 9.97 2.1160 2 1 0 4 53.23 32.93 1.7207 2 1 1 8 56.20 42.18 1.6367 1 2 1 8 57.22 17.48 1.6100 2 2 0 4 61.11 10.02 1.5165 3 1 0 4 62.86 10.13 1.4784 0 0 2 2 65.70 15.45 1.4212 3 0 1 4 68.26 7.16 1.3740 1 3 0 4 70.03 10.60 1.3435 1 1 2 8 73.46 3.91 1.2891 0 3 1 4 75.22 3.45 1.2631 2 0 2 4 76.44 1.12 1.2460 1 3 1 8 78.54 1.28 1.2179 0 2 2 4 79.01 1.41 1.2119 2 1 2 8 81.14 2.23 1.1854 3 2 1 8 85.20 6.80 1.1389 2 3 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.