Inesite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070456 Wan C, Ghose S American Mineralogist 63 (1978) 563-571 Inesite, a hydrated calcium manganese silicate with five-tetrahedral-repeat double chains CELL PARAMETERS: 8.8680 9.2640 11.9720 88.208 131.919 96.604 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.38823 0.26154 0.10164 1.000 1.168 Mn 0.00000 0.00000 0.00000 1.000 0.877 Mn 0.09978 0.07665 0.77404 1.000 0.667 Mn 0.20633 0.11273 0.55863 1.000 0.734 Mn 0.30756 0.15973 0.33874 1.000 0.987 Si 0.13271 0.72738 0.77309 1.000 0.518 Si 0.21219 0.75524 0.55699 1.000 0.596 Si 0.01735 0.60119 0.26428 1.000 0.647 Si 0.31748 0.81419 0.28134 1.000 0.608 Si 0.40405 0.88778 0.08109 1.000 0.555 O 0.65300 0.21680 0.05600 1.000 0.780 O 0.95680 0.42830 0.21190 1.000 0.989 O 0.02650 0.15580 0.30870 1.000 0.736 O 0.79200 0.30690 0.31400 1.000 0.910 O 0.92670 0.11400 0.52950 1.000 0.778 O 0.89880 0.38650 0.56530 1.000 1.086 O 0.55150 0.20710 0.35090 1.000 1.338 O 0.16360 0.30380 0.84710 1.000 1.052 O 0.78260 0.34520 0.71480 1.000 1.005 O 0.82800 0.06300 0.76390 1.000 0.855 O 0.68400 0.21440 0.85420 1.000 0.920 O 0.45120 0.14490 0.56440 1.000 1.023 O 0.27280 0.02360 0.00800 1.000 0.884 O 0.35350 0.07360 0.78800 1.000 0.846 Oh 0.13320 0.21610 0.10740 1.000 1.084 O 0.26400 0.36000 0.59570 1.000 2.239 O 0.54980 0.49050 0.87990 1.000 8.889 O 0.40240 0.41590 0.43990 0.478 2.218 H 0.02500 0.28100 0.06400 1.000 4.000 H 0.12700 0.37300 0.52800 1.000 4.000 H 0.31500 0.37900 0.54400 1.000 4.000 H 0.64000 0.43300 0.95000 1.000 4.000 H 0.48300 0.43300 0.78800 1.000 4.000 H 0.55300 0.41300 0.52700 0.478 4.000 H 0.34800 0.46600 0.36300 0.478 4.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 8 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 19.77366960 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.63 100.00 9.1850 0 1 0 9.95 2.60 8.8913 0 0 1 10.08 1.64 8.7736 -1 0 1 13.17 2.47 6.7200 -1 1 1 13.53 8.63 6.5455 1 0 0 14.81 1.86 5.9825 -1 0 2 17.42 4.19 5.0897 -1 1 2 19.33 7.55 4.5925 0 2 0 19.97 2.33 4.4457 0 0 2 20.24 3.37 4.3868 -2 0 2 20.83 4.70 4.2639 -1 2 1 21.48 1.47 4.1374 -2 1 2 21.58 1.53 4.1173 1 0 1 21.77 1.89 4.0820 -2 0 1 22.19 18.05 4.0053 -1 2 0 22.33 3.07 3.9815 0 2 1 22.81 3.16 3.8983 -1 -2 1 23.40 2.80 3.8010 -2 -1 2 24.04 2.49 3.7019 -1 2 2 24.99 1.50 3.5629 -2 -1 1 27.25 1.25 3.2728 2 0 0 27.29 1.99 3.2685 -2 2 1 27.76 1.72 3.2142 -2 1 0 28.80 2.80 3.1001 0 2 2 29.17 1.36 3.0617 0 3 0 29.84 2.55 2.9938 -1 3 1 30.28 3.38 2.9514 0 -3 1 30.31 1.34 2.9493 -1 -2 3 30.57 34.67 2.9245 -3 0 3 30.63 12.69 2.9187 -1 3 0 30.69 4.39 2.9131 1 2 1 30.97 3.19 2.8875 1 0 2 31.13 1.56 2.8728 0 -1 3 31.48 18.24 2.8414 0 3 1 31.50 11.55 2.8405 -2 2 0 31.58 1.48 2.8334 1 -1 2 32.75 30.72 2.7345 -1 0 4 33.14 10.16 2.7030 -3 -1 3 33.31 1.12 2.6900 -1 -3 2 33.99 8.82 2.6374 -1 -1 4 34.26 1.09 2.6174 -2 3 1 34.98 9.47 2.5649 2 0 1 35.21 2.91 2.5488 2 -1 1 37.15 2.05 2.4204 -3 2 4 37.51 4.18 2.3979 -1 -3 3 38.49 8.49 2.3387 1 3 1 39.01 1.34 2.3090 -2 -3 3 39.47 1.07 2.2831 -1 4 1 41.19 4.19 2.1916 0 -1 4 41.20 8.65 2.1909 0 4 1 41.46 7.49 2.1778 -4 1 3 41.51 1.80 2.1755 -2 3 4 41.51 4.22 2.1754 -4 0 3 41.67 1.99 2.1676 -1 4 2 42.25 1.11 2.1390 -3 2 5 42.74 4.22 2.1158 -3 3 4 43.80 3.02 2.0668 -4 2 3 44.16 6.35 2.0510 0 -2 4 44.38 1.29 2.0410 -4 0 2 45.97 2.73 1.9742 -1 -4 3 46.12 1.46 1.9681 -3 -3 2 46.57 1.03 1.9502 -3 -3 4 48.05 1.36 1.8937 -3 3 0 49.01 1.38 1.8588 3 -1 1 49.14 1.60 1.8539 0 -3 4 49.58 5.24 1.8386 -1 5 1 51.28 1.95 1.7814 -4 -2 2 51.65 1.06 1.7696 1 -1 4 53.05 1.14 1.7261 0 1 5 53.53 4.17 1.7118 -1 3 5 54.21 5.14 1.6920 -4 0 7 54.33 3.48 1.6885 -3 -4 2 54.63 1.22 1.6800 -4 4 4 55.66 3.30 1.6513 -5 2 3 55.72 6.13 1.6497 -4 -1 7 56.65 3.31 1.6249 0 2 5 57.36 2.65 1.6064 0 -5 3 57.41 4.66 1.6050 -4 -3 2 57.85 1.93 1.5938 1 -3 4 58.69 1.14 1.5731 -5 0 2 59.12 1.32 1.5627 -5 3 3 60.22 2.40 1.5366 -1 6 1 61.04 1.05 1.5179 -5 -1 2 61.76 2.11 1.5020 -3 5 0 61.94 2.67 1.4981 0 3 5 62.30 3.15 1.4904 -4 5 4 62.63 1.26 1.4832 1 0 5 64.37 1.47 1.4474 3 2 2 64.94 1.51 1.4359 -4 -4 2 65.23 3.07 1.4303 4 -2 1 65.44 1.01 1.4263 -5 -3 6 65.89 1.55 1.4176 -4 -4 6 66.89 1.11 1.3988 -2 -6 2 67.06 2.75 1.3956 0 -6 3 68.26 2.43 1.3740 4 -3 1 68.97 1.81 1.3615 -4 3 8 69.91 2.17 1.3456 3 3 2 76.14 1.04 1.2502 4 1 2 80.30 1.14 1.1956 -3 -6 6 82.03 1.01 1.1748 -5 5 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.