Tuperssuatsiaite-Mn Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R050223 Camara F, Garvie L A J, Devouard B, Groy T L, Buseck P R American Mineralogist 87 (2002) 1458-1463 The structure of Mn-tuperssuatsiaite, a palygorskite-related mineral CELL PARAMETERS: 13.7400 17.6900 5.2100 90.000 104.500 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.29740 0.41580 0.03660 1.000 1.263 Si 0.29620 0.33270 0.53010 1.000 1.342 Fe 0.50000 0.50000 0.00000 0.430 1.105 Mn 0.50000 0.50000 0.00000 0.570 1.105 Fe 0.50000 0.40950 0.50000 0.330 1.184 Mn 0.50000 0.40950 0.50000 0.670 1.184 Na 0.50000 0.29700 0.00000 0.940 2.290 O 0.41540 0.41640 0.12160 1.000 1.342 O 0.41200 0.33330 0.59200 1.000 1.737 O 0.25000 0.25000 0.50000 1.000 2.448 OH 0.56990 0.50000 0.37670 1.000 1.579 O 0.25390 0.50000 -0.00550 1.000 1.737 O 0.25150 0.37660 0.25810 1.000 1.658 O 0.25630 0.37160 0.76550 1.000 1.816 Wa 0.42910 0.20480 0.20700 1.000 8.133 O 0.55600 0.00000 0.29000 1.000 39.478 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 59.93842521 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.32 100.00 10.6318 1 1 0 10.00 1.33 8.8450 0 2 0 16.68 1.26 5.3159 2 2 0 20.08 2.39 4.4225 0 4 0 20.27 4.43 4.3816 0 2 1 21.73 3.87 4.0905 -2 2 1 24.17 3.90 3.6827 2 4 0 25.13 1.45 3.5439 3 3 0 25.38 2.98 3.5098 1 3 1 26.69 3.94 3.3404 2 2 1 26.81 6.72 3.3256 4 0 0 26.81 1.26 3.3253 0 4 1 27.72 1.04 3.2185 -3 3 1 27.95 1.49 3.1926 -2 4 1 29.99 1.18 2.9794 -4 2 1 30.63 1.72 2.9188 -1 5 1 34.08 2.47 2.6309 5 1 0 34.46 7.20 2.6023 -3 5 1 35.60 1.81 2.5220 0 0 2 36.16 4.03 2.4843 -2 6 1 38.29 3.17 2.3506 1 1 2 39.53 1.21 2.2795 3 5 1 41.88 1.28 2.1571 -4 6 1 42.71 1.10 2.1169 -5 5 1 43.10 1.03 2.0986 -5 1 2 53.75 1.42 1.7053 -7 5 1 62.02 1.24 1.4964 -2 6 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.