Groutite Kohler T, Armbruster T, Libowitzky E Journal of Solid State Chemistry 133 (1997) 486-500 Hydrogen bonding and Jahn-Teller distortion in groutite, alpha-MnOOH, and manganite, gamma-MnOOH, and their relations to the manganese dioxides ramsdellite and pyrolusite Locality: Nchwaning Mine, Kalahari manganese field, Republic of South Africa _database_code_amcsd 0013941 CELL PARAMETERS: 10.6670 2.8710 4.5540 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 139.466 Density (g/cm3): 4.188 MAX. ABS. INTENSITY / VOLUME**2: 36.75061357 RIR: 2.857 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 16.62 8.40 5.3335 2 0 0 2 21.21 100.00 4.1883 1 0 1 4 25.72 10.44 3.4633 2 0 1 4 31.93 41.43 2.8026 3 0 1 4 33.61 35.48 2.6667 4 0 0 2 35.51 15.98 2.5280 2 1 0 4 37.01 5.45 2.4287 0 1 1 4 38.00 58.61 2.3681 1 1 1 8 39.15 19.46 2.3012 4 0 1 4 39.58 2.59 2.2770 0 0 2 2 40.51 2.21 2.2268 1 0 2 4 40.83 7.23 2.2103 2 1 1 8 45.21 6.66 2.0055 3 1 1 8 46.48 3.62 1.9539 4 1 0 4 47.04 4.11 1.9319 5 0 1 4 50.85 4.32 1.7956 4 1 1 8 51.40 2.19 1.7778 6 0 0 2 51.97 11.60 1.7596 1 1 2 8 52.87 8.21 1.7316 4 0 2 4 54.21 36.71 1.6919 2 1 2 8 57.50 24.98 1.6028 5 1 1 8 57.82 8.98 1.5946 3 1 2 8 59.36 4.38 1.5568 5 0 2 4 61.33 12.32 1.5115 6 1 0 4 62.65 1.80 1.4828 4 1 2 8 63.74 5.22 1.4600 2 0 3 4 64.48 6.49 1.4451 7 0 1 4 64.96 8.88 1.4355 0 2 0 2 66.75 1.51 1.4013 6 0 2 4 67.04 3.94 1.3961 3 0 3 4 69.18 5.33 1.3580 1 2 1 8 70.13 4.28 1.3420 0 1 3 4 70.76 1.55 1.3315 1 1 3 8 72.65 1.13 1.3014 2 1 3 8 74.23 5.62 1.2777 3 2 1 8 75.16 4.64 1.2640 4 2 0 4 75.49 2.09 1.2593 6 1 2 8 75.76 2.64 1.2555 3 1 3 8 78.54 2.42 1.2180 4 2 1 8 79.21 2.39 1.2093 8 1 0 4 80.05 4.24 1.1987 4 1 3 8 83.42 1.12 1.1587 7 1 2 8 83.79 1.76 1.1544 6 0 3 4 83.99 1.04 1.1522 5 2 1 8 84.14 2.85 1.1506 8 0 2 4 85.84 3.27 1.1321 1 0 4 4 88.47 2.99 1.1051 4 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.