Nchwaningite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140275 Nyfeler D, Armbruster T, Dixon R, Bermanec V American Mineralogist 80 (1995) 377-386 Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate from the N'chwaning mine, Kalahari manganese field, South Africa Locality: N'chwaning mine, South Africa _database_code_amcsd 0001731 CELL PARAMETERS: 12.7160 7.2400 5.3469 90.000 90.000 90.000 SPACE GROUP: Pca2_1 ATOM X Y Z OCCUPANCY ISO(B) Mn 0.18811 0.82325 0.00000 0.925 2.616 Mg 0.18811 0.82325 0.00000 0.053 2.616 Al 0.18811 0.82325 0.00000 0.006 2.616 Fe 0.18811 0.82325 0.00000 0.004 2.616 Ca 0.18811 0.82325 0.00000 0.004 2.616 Mn 0.95789 0.16870 -0.02200 0.925 0.816 Mg 0.95789 0.16870 -0.02200 0.053 0.816 Al 0.95789 0.16870 -0.02200 0.006 0.816 Fe 0.95789 0.16870 -0.02200 0.004 0.816 Ca 0.95789 0.16870 -0.02200 0.004 0.816 Si 0.81410 -0.21390 0.18770 1.000 0.645 O 0.81710 0.00970 0.17330 1.000 0.790 Oh 0.92580 -0.01590 -0.32820 1.000 0.945 Oh 0.67870 0.31780 0.34430 1.000 0.963 Oh 0.94590 0.34180 0.33360 1.000 1.134 O 0.92730 -0.30840 0.23100 1.000 0.926 O 0.76770 -0.28470 -0.08890 1.000 0.892 H 0.88100 -0.10900 0.75000 1.000 1.579 H 0.68100 0.45200 0.35500 1.000 1.579 H 0.93600 0.47200 0.29600 1.000 1.579 H 0.99600 0.33800 0.47000 1.000 1.579 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 15.44583299 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.22 100.00 7.2400 0 1 0 13.93 4.63 6.3580 2 0 0 14.08 22.01 6.2917 1 1 0 21.72 7.88 4.0922 2 0 1 21.81 18.43 4.0743 1 1 1 24.33 10.08 3.6579 3 1 0 24.59 45.20 3.6200 0 2 0 25.59 8.86 3.4817 1 2 0 28.07 3.02 3.1790 4 0 0 28.37 3.61 3.1458 2 2 0 29.59 78.67 3.0190 3 1 1 30.64 14.00 2.9176 1 2 1 32.77 10.66 2.7325 4 0 1 33.04 4.00 2.7114 2 2 1 33.52 3.17 2.6734 0 0 2 35.10 36.10 2.5565 4 1 1 35.80 10.49 2.5079 0 1 2 36.52 30.47 2.4605 1 1 2 36.72 43.97 2.4474 3 2 1 37.26 1.75 2.4133 0 3 0 37.48 1.10 2.3995 5 1 0 37.66 2.64 2.3887 4 2 0 37.95 1.78 2.3710 1 3 0 38.59 2.33 2.3330 2 1 2 41.24 8.87 2.1891 5 1 1 41.40 12.44 2.1809 4 2 1 41.67 2.55 2.1675 1 3 1 41.85 5.80 2.1584 3 1 2 42.01 7.48 2.1505 0 2 2 42.64 14.80 2.1204 1 2 2 42.66 1.12 2.1193 6 0 0 43.49 2.95 2.0810 5 2 0 44.27 4.38 2.0461 4 0 2 46.07 2.44 1.9702 6 0 1 46.51 2.42 1.9524 3 3 1 46.85 3.44 1.9393 5 2 1 50.45 32.44 1.8089 4 3 1 50.96 1.30 1.7919 1 4 0 50.98 15.62 1.7914 0 3 2 51.15 1.06 1.7857 5 1 2 51.29 1.04 1.7813 4 2 2 51.89 8.38 1.7620 7 1 0 52.57 1.66 1.7408 2 4 0 53.12 3.56 1.7243 2 3 2 53.39 2.16 1.7161 2 0 3 53.43 3.57 1.7148 1 1 3 53.97 1.57 1.6991 1 4 1 56.00 1.16 1.6421 5 2 2 56.69 1.34 1.6236 7 2 0 57.52 5.98 1.6022 3 1 3 57.91 2.18 1.5925 6 3 0 58.03 8.39 1.5895 8 0 0 58.03 11.19 1.5893 3 4 1 58.15 1.29 1.5865 1 2 3 59.46 17.24 1.5546 4 0 3 59.55 1.52 1.5525 8 1 0 59.62 1.93 1.5507 2 2 3 60.79 1.10 1.5236 8 0 1 60.95 4.31 1.5200 4 1 3 61.45 4.68 1.5090 4 4 1 61.91 2.66 1.4988 0 4 2 62.03 1.69 1.4961 3 2 3 62.27 1.04 1.4909 8 1 1 62.39 5.57 1.4885 1 4 2 63.04 2.08 1.4747 5 4 0 63.20 11.98 1.4712 7 1 2 63.97 1.52 1.4554 8 2 0 64.34 1.26 1.4480 0 5 0 64.80 1.85 1.4387 1 5 0 65.32 2.96 1.4285 4 2 3 65.68 1.65 1.4216 5 4 1 67.49 5.96 1.3877 7 2 2 70.44 1.80 1.3367 0 0 4 71.01 1.28 1.3274 3 5 1 71.81 1.22 1.3145 0 1 4 72.26 2.07 1.3075 1 1 4 72.30 2.06 1.3069 4 3 3 73.51 1.41 1.2883 8 3 1 74.10 4.37 1.2795 4 5 1 74.53 1.14 1.2732 0 5 2 76.27 1.15 1.2485 2 5 2 76.31 1.18 1.2479 1 2 4 79.42 1.90 1.2067 0 6 0 80.84 2.93 1.1889 8 3 2 82.49 2.20 1.1693 0 3 4 83.65 3.91 1.1561 7 4 2 85.82 1.23 1.1323 7 5 0 87.35 2.19 1.1164 11 1 1 88.60 1.31 1.1038 4 6 1 89.98 1.33 1.0905 8 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.