Artinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060234 Akao M, Iwai S Acta Crystallographica B33 (1977) 3951-3953 The hydrogen bonding of artinite Note: anisotropic displacement parameters obtained from ICSD CELL PARAMETERS: 16.5270 3.1500 6.2220 90.000 99.000 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Mg 0.31587 0.00000 0.15203 1.000 0.794 C 0.42330 0.00000 0.62026 0.500 0.993 Oh 0.23884 0.50000 0.17079 1.000 0.854 Ow 0.39988 0.50000 0.08992 1.000 1.059 O 0.36702 0.00000 0.46852 1.000 1.733 O 0.45155 0.35820 0.70358 0.500 1.480 H 0.22200 0.50000 0.27500 1.000 3.500 H 0.44300 0.50000 0.17400 1.000 2.700 H 0.40800 0.50000 0.03900 1.000 3.300 H 0.39500 0.19500 0.52800 0.500 5.700 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 2 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 4.592183243 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.84 42.73 8.1618 2 0 0 14.41 21.25 6.1454 0 0 1 16.65 100.00 5.3260 -2 0 1 19.39 1.43 4.5773 2 0 1 21.78 10.21 4.0809 4 0 0 24.22 64.52 3.6748 -4 0 1 28.08 8.06 3.1782 4 0 1 29.06 1.80 3.0727 0 0 2 29.41 21.89 3.0366 -2 0 2 32.01 13.99 2.7962 -1 1 1 32.71 30.43 2.7379 2 0 2 32.80 11.07 2.7304 1 1 1 32.85 64.07 2.7261 3 1 0 32.92 4.92 2.7206 6 0 0 33.66 27.72 2.6630 -4 0 2 33.88 1.71 2.6456 -6 0 1 37.11 1.25 2.4226 3 1 1 38.22 6.04 2.3551 6 0 1 39.37 9.86 2.2887 4 0 2 39.76 22.84 2.2669 5 1 0 40.71 1.95 2.2162 -6 0 2 40.78 2.25 2.2129 -1 1 2 40.91 67.95 2.2060 -5 1 1 42.57 5.91 2.1235 -3 1 2 43.85 1.04 2.0646 -2 0 3 44.05 5.61 2.0555 5 1 1 44.21 11.66 2.0485 0 0 3 47.17 1.31 1.9269 -5 1 2 47.42 29.56 1.9173 2 0 3 48.01 1.77 1.8951 6 0 2 49.00 35.61 1.8591 -7 1 1 49.20 1.05 1.8518 8 0 1 49.61 3.62 1.8374 -8 0 2 52.72 7.92 1.7363 5 1 2 52.83 8.59 1.7330 7 1 1 52.87 4.07 1.7317 -1 1 3 53.83 20.35 1.7030 -3 1 3 54.01 5.75 1.6978 -7 1 2 54.45 2.43 1.6850 1 1 3 55.98 7.08 1.6427 -10 0 1 58.04 1.31 1.5891 8 0 2 58.61 12.99 1.5750 0 2 0 59.45 2.75 1.5547 -2 0 4 59.80 4.00 1.5465 2 2 0 59.86 6.00 1.5452 -10 0 2 60.24 1.39 1.5363 0 0 4 60.70 1.83 1.5257 0 2 1 61.06 15.21 1.5175 7 1 2 61.38 5.67 1.5103 -2 2 1 62.63 2.65 1.4832 -9 1 2 63.00 4.80 1.4755 9 1 1 64.35 1.85 1.4476 -4 2 1 64.54 6.05 1.4438 5 1 3 67.61 1.72 1.3857 -3 1 4 68.76 5.25 1.3652 2 2 2 70.17 10.75 1.3412 -5 1 4 70.76 3.32 1.3315 -8 0 4 70.96 4.05 1.3282 9 1 2 71.29 2.61 1.3228 -12 0 2 72.78 1.64 1.2995 -11 1 2 72.91 2.41 1.2975 4 2 2 73.64 4.44 1.2864 12 0 1 74.82 1.38 1.2690 -7 1 4 76.26 4.66 1.2486 0 2 3 76.50 1.05 1.2453 -8 2 1 78.54 1.19 1.2179 -10 0 4 78.61 4.52 1.2170 2 2 3 85.39 2.08 1.1369 -10 2 1 86.12 1.19 1.1291 4 0 5 87.58 1.13 1.1141 14 0 1 88.68 1.47 1.1030 -10 2 2 89.01 1.15 1.0998 0 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.