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 #630 Locality: synthetic at 4.0 GPa and 600 deg C for 24 hours _database_code_amcsd 0019393 CELL PARAMETERS: 4.8691 4.3184 2.9594 90.000 90.000 90.000 SPACE GROUP: Pnnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 62.226 Density (g/cm3): 4.590 MAX. ABS. INTENSITY / VOLUME**2: 43.54091163 RIR: 3.089 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 27.61 100.00 3.2308 1 1 0 4 35.50 19.38 2.5289 1 0 1 4 36.82 59.29 2.4412 0 1 1 4 36.92 19.88 2.4346 2 0 0 2 41.37 15.25 2.1823 1 1 1 8 41.84 3.63 2.1592 0 2 0 2 42.63 9.84 2.1207 2 1 0 4 53.13 31.97 1.7238 2 1 1 8 56.00 41.73 1.6421 1 2 1 8 57.01 16.07 1.6154 2 2 0 4 60.99 9.14 1.5193 3 1 0 4 62.80 9.65 1.4797 0 0 2 2 65.60 14.50 1.4231 3 0 1 4 67.90 6.48 1.3804 1 3 0 4 69.92 10.41 1.3453 1 1 2 8 73.10 4.33 1.2945 0 3 1 4 75.13 3.45 1.2645 2 0 2 4 76.08 1.12 1.2510 1 3 1 8 78.34 1.19 1.2206 0 2 2 4 78.88 1.40 1.2135 2 1 2 8 80.90 2.18 1.1882 3 2 1 8 84.83 6.19 1.1429 2 3 1 8 89.91 6.40 1.0911 2 2 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.