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 0019391 CELL PARAMETERS: 4.8623 4.2972 2.9567 90.000 90.000 90.000 SPACE GROUP: P2_1nm X-RAY WAVELENGTH: 1.541838 Cell Volume: 61.778 Density (g/cm3): 4.569 MAX. ABS. INTENSITY / VOLUME**2: 44.08148622 RIR: 3.142 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 2 35.54 22.32 2.5263 1 0 1 2 36.90 60.35 2.4358 0 1 1 4 36.98 17.52 2.4311 2 0 0 1 41.46 15.57 2.1778 1 1 1 4 42.05 3.56 2.1486 0 2 0 2 42.73 9.69 2.1160 2 1 0 2 53.23 30.63 1.7207 2 1 1 4 56.20 40.37 1.6367 1 2 1 4 57.22 16.07 1.6100 2 2 0 2 61.11 9.79 1.5165 3 1 0 2 62.86 9.46 1.4784 0 0 2 2 65.70 14.68 1.4212 3 0 1 2 68.26 7.16 1.3740 1 3 0 2 70.03 10.18 1.3435 1 1 2 4 73.46 3.46 1.2891 0 3 1 4 75.22 3.21 1.2631 2 0 2 2 76.44 1.10 1.2460 1 3 1 4 78.54 1.20 1.2179 0 2 2 4 79.01 1.38 1.2119 2 1 2 4 81.14 2.45 1.1854 3 2 1 4 85.20 6.14 1.1389 2 3 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.