Saneroite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060488 Basso R, Giusta A D Neues Jahrbuch fur Mineralogie, Abhandlungen 138 (1980) 332-342 The crystal structure of a new manganese silicate Locality: Liguria, Italy CELL PARAMETERS: 9.7350 9.9610 9.0940 92.650 117.120 105.290 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Na 0.50000 0.00000 0.50000 0.941 2.750 Na 0.18910 0.53360 0.44270 0.675 1.710 Mn 0.74360 0.98040 0.29480 1.000 1.220 Mn 0.99750 0.21320 0.22160 1.000 0.980 Mn 0.86210 0.88790 0.02940 1.000 0.880 Mn 0.57370 0.66770 0.09870 1.000 0.890 Mn 0.71710 0.55420 0.85320 1.000 1.170 Si 0.87460 0.27570 0.82560 1.000 0.890 Si 0.03080 0.23900 0.60990 1.000 0.770 Si 0.20660 0.54910 0.77410 1.000 0.850 Si 0.47590 0.75740 0.73000 1.000 0.900 Si 0.61950 0.07820 0.89600 1.000 0.820 Si 0.60410 0.71240 0.48150 0.500 0.710 V 0.60410 0.71240 0.48150 0.500 0.710 O 0.70580 0.16510 0.79570 1.000 1.320 O 0.88550 0.22800 0.65830 1.000 1.280 O 0.10910 0.40950 0.62080 1.000 1.180 O 0.30120 0.66930 0.70760 1.000 1.280 O 0.49730 0.92670 0.75430 1.000 1.260 O 0.46330 0.71280 0.54830 1.000 1.460 O 0.85600 0.43350 0.82380 1.000 1.180 O 0.96460 0.72460 0.00790 1.000 1.090 O 0.95340 0.15420 0.42380 1.000 1.190 O 0.82780 0.81250 0.24630 1.000 0.990 O 0.07920 0.60500 0.80360 1.000 1.270 O 0.66540 0.49210 0.05930 1.000 1.030 O 0.37690 0.27660 0.11860 1.000 0.980 O 0.49660 0.14880 0.91010 1.000 1.160 O 0.24140 0.94850 0.93610 1.000 1.080 O 0.68340 0.87790 0.47490 1.000 1.310 O 0.51790 0.60410 0.29780 1.000 1.160 O 0.25620 0.34670 0.36960 1.000 1.350 Oh 0.08970 0.05100 0.17390 1.000 1.180 H 0.84630 0.96490 0.72470 1.000 2.600 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 8 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 9.472732395 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.12 3.88 7.9563 -1 0 1 11.14 45.53 7.9406 0 0 1 11.81 34.55 7.4916 -1 1 0 16.44 2.20 5.3935 1 1 0 18.46 1.16 4.8056 -1 2 0 18.48 16.82 4.8000 1 -1 1 18.83 5.48 4.7131 0 2 0 18.95 3.34 4.6826 1 0 1 19.96 1.29 4.4491 0 -2 1 20.65 1.12 4.3007 -2 1 0 20.76 6.31 4.2789 -1 2 1 21.33 1.97 4.1650 -1 -1 2 21.65 1.86 4.1041 2 0 0 22.10 1.97 4.0224 -1 1 2 22.39 5.94 3.9703 0 0 2 23.02 1.47 3.8629 -1 -2 1 23.14 5.91 3.8439 -2 2 1 23.24 3.48 3.8280 -2 1 2 23.59 6.45 3.7710 1 1 1 23.75 9.33 3.7466 0 2 1 23.75 6.48 3.7458 -2 2 0 25.29 2.12 3.5214 -2 -1 2 25.99 1.68 3.4289 0 1 2 26.31 7.01 3.3867 2 1 0 26.40 1.73 3.3761 0 -2 2 26.64 6.49 3.3458 -1 -2 2 26.94 6.55 3.3096 -1 3 0 27.43 4.89 3.2521 2 -1 1 27.88 3.87 3.2001 -1 2 2 28.32 22.85 3.1512 1 -1 2 28.45 1.00 3.1371 0 -3 1 29.15 16.40 3.0640 1 -3 1 29.15 55.47 3.0631 2 -2 1 29.32 2.47 3.0458 -1 3 1 29.36 12.63 3.0416 1 0 2 29.69 25.05 3.0093 -3 2 1 29.76 4.07 3.0017 -2 3 0 29.98 34.40 2.9804 -2 3 1 30.02 5.00 2.9766 -1 0 3 30.07 2.33 2.9722 -2 -2 1 31.36 3.06 2.8523 -2 1 3 31.46 1.29 2.8438 -3 2 2 31.63 100.00 2.8290 -2 -1 3 32.14 3.78 2.7851 -3 2 0 32.99 3.00 2.7152 -3 -1 1 33.22 71.60 2.6967 2 2 0 33.28 9.74 2.6920 1 1 2 33.34 1.06 2.6875 0 -1 3 33.65 12.48 2.6634 1 3 0 33.67 1.43 2.6620 2 -3 1 33.80 15.96 2.6521 -3 0 3 33.87 3.31 2.6469 0 0 3 34.25 30.48 2.6182 -2 3 2 34.39 3.04 2.6078 -3 3 1 35.16 1.06 2.5527 1 -3 2 36.13 1.95 2.4861 -1 4 0 37.01 17.92 2.4287 0 1 3 37.03 1.18 2.4277 3 1 0 37.09 2.80 2.4241 -4 1 2 37.47 3.03 2.4000 2 -2 2 37.65 6.59 2.3890 0 -4 1 37.67 1.62 2.3878 3 -1 1 37.85 19.85 2.3767 -4 1 1 38.19 2.30 2.3565 0 4 0 39.24 1.24 2.2958 1 -1 3 39.65 16.40 2.2731 2 2 1 40.44 15.15 2.2306 -2 -1 4 40.55 12.43 2.2246 0 -4 2 40.98 28.71 2.2024 -3 4 1 41.27 3.49 2.1875 -1 0 4 41.47 3.57 2.1774 -2 3 3 41.75 1.52 2.1637 1 -4 2 41.82 4.78 2.1602 -3 4 0 42.09 1.12 2.1466 -2 -3 3 43.31 17.21 2.0892 -1 -2 4 43.37 4.31 2.0863 -3 4 2 43.61 1.22 2.0756 1 -3 3 43.68 1.04 2.0721 -4 -1 1 43.93 16.14 2.0610 3 1 1 45.50 1.22 1.9936 -4 1 4 45.61 1.27 1.9891 -4 0 4 45.80 1.39 1.9810 -1 5 0 46.26 1.36 1.9624 1 -5 1 46.66 2.86 1.9466 -1 -4 3 47.08 1.14 1.9303 -5 2 2 47.22 1.02 1.9249 -2 5 1 47.50 2.25 1.9140 -4 2 4 48.05 2.43 1.8936 -1 2 4 48.11 1.26 1.8914 1 4 1 48.60 1.36 1.8732 -5 2 1 48.67 3.81 1.8708 0 1 4 49.32 2.80 1.8478 0 -3 4 49.50 2.46 1.8413 1 2 3 49.62 1.65 1.8372 1 -5 2 51.05 2.39 1.7892 -5 0 1 51.07 2.15 1.7884 -1 -5 1 51.10 2.43 1.7875 4 0 1 51.18 1.52 1.7847 -5 3 3 51.30 2.22 1.7811 1 -2 4 51.47 6.13 1.7753 -5 1 4 51.98 2.84 1.7592 0 5 1 52.42 2.89 1.7455 1 0 4 52.82 6.49 1.7332 3 1 2 52.85 5.10 1.7322 -5 2 0 53.15 1.09 1.7231 -1 0 5 53.22 1.79 1.7211 1 5 0 53.37 2.08 1.7168 -1 -4 4 53.98 4.68 1.6986 -1 -2 5 54.07 1.02 1.6961 -1 3 4 54.21 2.31 1.6921 -4 5 2 54.37 1.03 1.6873 -4 -3 2 54.54 15.24 1.6825 -4 5 0 54.72 24.31 1.6775 -4 -3 3 55.06 1.47 1.6680 -3 -4 3 55.31 1.32 1.6609 4 1 1 55.33 1.68 1.6604 1 4 2 55.48 5.15 1.6562 1 -5 3 55.60 5.83 1.6530 -5 3 4 55.64 14.63 1.6519 -4 2 5 56.10 1.42 1.6394 2 4 1 57.31 3.70 1.6076 -5 -2 3 57.61 5.83 1.6000 3 -3 3 57.76 1.09 1.5961 -5 -2 2 58.09 12.71 1.5879 0 5 2 58.55 4.69 1.5765 -1 6 1 58.59 2.54 1.5756 4 -5 1 58.76 1.34 1.5713 -3 -4 4 59.96 5.37 1.5429 0 -3 5 59.96 5.52 1.5427 4 0 2 60.76 6.31 1.5243 -6 0 4 62.26 6.60 1.4912 -5 3 5 62.34 1.09 1.4895 -4 0 6 62.39 2.36 1.4883 -2 0 6 62.46 2.99 1.4869 -6 4 3 62.57 3.13 1.4846 -3 1 6 62.62 3.58 1.4834 -2 -5 4 63.52 5.36 1.4647 -1 6 2 63.75 2.79 1.4598 -3 5 4 63.77 2.25 1.4595 -6 -1 2 64.39 1.88 1.4469 1 4 3 64.84 2.61 1.4379 -6 0 5 65.01 12.10 1.4346 1 0 5 65.06 11.65 1.4336 -6 3 0 65.25 1.63 1.4298 2 3 3 65.69 1.74 1.4214 -2 7 0 66.05 2.39 1.4145 -4 -2 6 66.28 1.08 1.4102 1 -7 1 66.37 10.51 1.4084 2 -6 3 66.48 3.74 1.4064 -2 -6 2 67.28 1.64 1.3915 -5 -1 6 67.29 1.91 1.3914 -6 -1 1 67.46 3.59 1.3883 -2 -6 1 67.86 2.70 1.3811 -2 4 5 68.22 1.10 1.3748 1 -7 2 68.85 1.35 1.3637 -7 1 4 69.12 1.19 1.3590 -2 -5 5 69.34 3.08 1.3552 4 -4 3 69.74 1.49 1.3484 4 4 0 71.28 1.13 1.3230 -2 7 2 71.45 3.41 1.3202 2 -1 5 71.64 1.75 1.3172 6 -3 1 72.00 1.00 1.3116 -7 1 5 72.29 1.37 1.3070 -1 -7 2 72.85 5.02 1.2984 -3 5 5 73.31 1.16 1.2914 -3 -6 2 74.20 1.95 1.2781 -7 -1 4 74.31 1.40 1.2763 2 -6 4 75.97 1.15 1.2526 -5 -4 1 77.60 1.19 1.2303 -5 7 3 77.88 1.06 1.2265 -3 -3 7 77.98 2.90 1.2253 -1 3 6 79.95 1.22 1.2000 4 -4 4 83.00 2.67 1.1635 0 -8 3 88.76 2.10 1.1022 -6 -4 6 89.92 2.36 1.0910 5 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.