Pyrolusite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120169 Wyckoff R W G Crystal Structures 1 (1963) 239-444 Second edition. Interscience Publishers, New York, New York Note: beta phase of MnO2, rutile structure _database_code_amcsd 0011760 CELL PARAMETERS: 4.4080 4.4080 2.8770 90.000 90.000 90.000 SPACE GROUP: P4_2/mnm ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00000 0.00000 0.00000 1.000 0.700 O 0.30200 0.30200 0.00000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 2 MAX. ABS. INTENSITY / VOLUME**2: 69.26214653 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 28.64 100.00 3.1169 1 1 0 37.32 54.69 2.4093 1 0 1 40.95 9.48 2.2040 2 0 0 42.77 13.32 2.1141 1 1 1 46.04 4.10 1.9713 2 1 0 56.60 52.58 1.6262 2 1 1 59.30 14.96 1.5585 2 2 0 64.81 6.83 1.4385 0 0 2 67.15 8.52 1.3939 3 1 0 72.19 16.11 1.3086 3 0 1 72.35 9.28 1.3061 1 1 2 79.58 2.63 1.2046 2 0 2 86.49 4.95 1.1252 3 2 1 88.78 2.70 1.1020 4 0 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.